3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate

C162H294N32O7 — CID 159725703

IUPAC3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCC2(CCOC2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2cccnc2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)N1CCN2CCN(C(C)(C)C)CC2C1.CCOC(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)N1CCN(C(C)(C)C)CC1.COCC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29N3.2C14H22N2.C14H27N.2C13H21N3.2C12H20N4.C12H24N2O2.C12H23NO.C11H23N3O.C11H22N2O2.C10H20N2O/c1-12(2)16-7-6-15-8-9-17(14(3,4)5)11-13(15)10-16;2*1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-13(2,3)16-9-7-15(8-10-16)12-5-4-6-14-11-12;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)16-8-6-15(7-9-16)11-10-13-4-5-14-11;1-12(2,3)16-9-7-15(8-10-16)11-13-5-4-6-14-11;1-5-16-11(15)10-13-6-8-14(9-7-13)12(2,3)4;1-11(2,3)13-7-4-12(5-8-13)6-9-14-10-12;1-11(2,3)14-8-6-13(7-9-14)10(15)12(4)5;1-11(2,3)13-7-5-12(6-8-13)10(14)9-15-4;1-9(13)11-5-7-12(8-6-11)10(2,3)4/h12-13H,6-11H2,1-5H3;2*4-8H,9-12H2,1-3H3;4-12H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;5-10H2,1-4H3;4-10H2,1-3H3;6-9H2,1-5H3;5-9H2,1-4H3;5-8H2,1-4H3
InChIKeyNAPHUVKTXKNFNS-UHFFFAOYSA-N
MW2802.35 g/mol
LogP23.20
Rot. Bonds12

About 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate

3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate (PubChem CID 159725703) has the molecular formula C162H294N32O7 and a molecular weight of 2802.35 g/mol. Its IUPAC name is 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate.

Molecular Properties

Compound Name3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
PubChem CID159725703
Molecular FormulaC162H294N32O7
Molecular Weight2802.35 g/mol
Exact Mass2800.36
IUPAC Name3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCC2(CCOC2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2cccnc2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)N1CCN2CCN(C(C)(C)C)CC2C1.CCOC(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)N1CCN(C(C)(C)C)CC1.COCC(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H29N3.2C14H22N2.C14H27N.2C13H21N3.2C12H20N4.C12H24N2O2.C12H23NO.C11H23N3O.C11H22N2O2.C10H20N2O/c1-12(2)16-7-6-15-8-9-17(14(3,4)5)11-13(15)10-16;2*1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-13(2,3)16-9-7-15(8-10-16)12-5-4-6-14-11-12;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)16-8-6-15(7-9-16)11-10-13-4-5-14-11;1-12(2,3)16-9-7-15(8-10-16)11-13-5-4-6-14-11;1-5-16-11(15)10-13-6-8-14(9-7-13)12(2,3)4;1-11(2,3)13-7-4-12(5-8-13)6-9-14-10-12;1-11(2,3)14-8-6-13(7-9-14)10(15)12(4)5;1-11(2,3)13-7-5-12(6-8-13)10(14)9-15-4;1-9(13)11-5-7-12(8-6-11)10(2,3)4/h12-13H,6-11H2,1-5H3;2*4-8H,9-12H2,1-3H3;4-12H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;5-10H2,1-4H3;4-10H2,1-3H3;6-9H2,1-5H3;5-9H2,1-4H3;5-8H2,1-4H3
InChIKeyNAPHUVKTXKNFNS-UHFFFAOYSA-N
XLogP23.20
TPSA257.55 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds12
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002802.35
LogP ≤ 523.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate?
The IUPAC name of 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate (CID 159725703) is 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate.
What is the SMILES notation for 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate?
The canonical SMILES for 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate is CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCC2(CCOC2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)(C)N1CCN(c2cccnc2)CC1.CC(C)(C)N1CCN(c2cnccn2)CC1.CC(C)(C)N1CCN(c2ncccn2)CC1.CC(C)N1CCN2CCN(C(C)(C)C)CC2C1.CCOC(=O)CN1CCN(C(C)(C)C)CC1.CN(C)C(=O)N1CCN(C(C)(C)C)CC1.COCC(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate?
The InChIKey is NAPHUVKTXKNFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.2C14H22N2.C14H27N.2C13H21N3.2C12H20N4.C12H24N2O2.C12H23NO.C11H23N3O.C11H22N2O2.C10H20N2O/c1-12(2)16-7-6-15-8-9-17(14(3,4)5)11-13(15)10-16;2*1-14(2,3)16-11-9-15(10-12-16)13-7-5-4-6-8-13;1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-13(2,3)16-9-7-15(8-10-16)12-5-4-6-14-11-12;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)16-8-6-15(7-9-16)11-10-13-4-5-14-11;1-12(2,3)16-9-7-15(8-10-16)11-13-5-4-6-14-11;1-5-16-11(15)10-13-6-8-14(9-7-13)12(2,3)4;1-11(2,3)13-7-4-12(5-8-13)6-9-14-10-12;1-11(2,3)14-8-6-13(7-9-14)10(15)12(4)5;1-11(2,3)13-7-5-12(6-8-13)10(14)9-15-4;1-9(13)11-5-7-12(8-6-11)10(2,3)4/h12-13H,6-11H2,1-5H3;2*4-8H,9-12H2,1-3H3;4-12H2,1-3H3;4-6,11H,7-10H2,1-3H3;4-7H,8-11H2,1-3H3;4-5,10H,6-9H2,1-3H3;4-6H,7-10H2,1-3H3;5-10H2,1-4H3;4-10H2,1-3H3;6-9H2,1-5H3;5-9H2,1-4H3;5-8H2,1-4H3.
What are the key properties of 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate?
3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate has a molecular weight of 2802.35 g/mol, XLogP of 23.20, 12 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-azaspiro[5.5]undecane;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;8-tert-butyl-2-oxa-8-azaspiro[4.5]decane;bis(1-tert-butyl-4-phenylpiperazine);1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-methoxyethanone;2-(4-tert-butylpiperazin-1-yl)pyrazine;2-(4-tert-butylpiperazin-1-yl)pyrimidine;2-tert-butyl-8-propan-2-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine;1-tert-butyl-4-pyridin-2-ylpiperazine;1-tert-butyl-4-pyridin-3-ylpiperazine;ethyl 2-(4-tert-butylpiperazin-1-yl)acetate is sourced from PubChem (CID 159725703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).