4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one

C121H244N26O10 — CID 158305711

IUPAC4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
SMILESCC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CCC(=O)N1CCN(C(C)C)CC1.CC(C)CN(C)C(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(=O)CC(C)(C)C)CC1.CC(C)N1CCN(C(=O)CC2CC2)CC1.CC(C)N1CCN(C(=O)N(C)C(C)C)CC1.CC(C)N1CCN(C(=O)N(C)C)CC1.CC(C)N1CCN(C(=O)N(C)C2CC2)CC1.CCN(C)C(=O)N1CCN(C(C)C)CC1.CCN(CC)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C13H27N3O.2C13H26N2O.C12H23N3O.C12H25N3O.C12H22N2O.C12H24N2O.C11H23N3O.C10H21N3O/c1-11(2)10-14(5)13(17)16-8-6-15(7-9-16)12(3)4;1-6-14(7-2)12(17)15-8-10-16(11-9-15)13(3,4)5;1-11(2)14-6-8-15(9-7-14)12(16)10-13(3,4)5;1-11(2)5-6-13(16)15-9-7-14(8-10-15)12(3)4;1-10(2)14-6-8-15(9-7-14)12(16)13(3)11-4-5-11;1-10(2)13(5)12(16)15-8-6-14(7-9-15)11(3)4;1-10(2)13-5-7-14(8-6-13)12(15)9-11-3-4-11;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-5-12(4)11(15)14-8-6-13(7-9-14)10(2)3;1-9(2)12-5-7-13(8-6-12)10(14)11(3)4/h11-12H,6-10H2,1-5H3;6-11H2,1-5H3;11H,6-10H2,1-5H3;11-12H,5-10H2,1-4H3;10-11H,4-9H2,1-3H3;10-11H,6-9H2,1-5H3;10-11H,3-9H2,1-2H3;10-11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;9H,5-8H2,1-4H3
InChIKeyGNBBUJDJTDPTPV-UHFFFAOYSA-N
MW2223.45 g/mol
LogP14.94
Rot. Bonds24

About 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one

4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one (PubChem CID 158305711) has the molecular formula C121H244N26O10 and a molecular weight of 2223.45 g/mol. Its IUPAC name is 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
PubChem CID158305711
Molecular FormulaC121H244N26O10
Molecular Weight2223.45 g/mol
Exact Mass2221.94
IUPAC Name4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
SMILESCC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CCC(=O)N1CCN(C(C)C)CC1.CC(C)CN(C)C(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(=O)CC(C)(C)C)CC1.CC(C)N1CCN(C(=O)CC2CC2)CC1.CC(C)N1CCN(C(=O)N(C)C(C)C)CC1.CC(C)N1CCN(C(=O)N(C)C)CC1.CC(C)N1CCN(C(=O)N(C)C2CC2)CC1.CCN(C)C(=O)N1CCN(C(C)C)CC1.CCN(CC)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C13H27N3O.2C13H26N2O.C12H23N3O.C12H25N3O.C12H22N2O.C12H24N2O.C11H23N3O.C10H21N3O/c1-11(2)10-14(5)13(17)16-8-6-15(7-9-16)12(3)4;1-6-14(7-2)12(17)15-8-10-16(11-9-15)13(3,4)5;1-11(2)14-6-8-15(9-7-14)12(16)10-13(3,4)5;1-11(2)5-6-13(16)15-9-7-14(8-10-15)12(3)4;1-10(2)14-6-8-15(9-7-14)12(16)13(3)11-4-5-11;1-10(2)13(5)12(16)15-8-6-14(7-9-15)11(3)4;1-10(2)13-5-7-14(8-6-13)12(15)9-11-3-4-11;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-5-12(4)11(15)14-8-6-13(7-9-14)10(2)3;1-9(2)12-5-7-13(8-6-12)10(14)11(3)4/h11-12H,6-10H2,1-5H3;6-11H2,1-5H3;11H,6-10H2,1-5H3;11-12H,5-10H2,1-4H3;10-11H,4-9H2,1-3H3;10-11H,6-9H2,1-5H3;10-11H,3-9H2,1-2H3;10-11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;9H,5-8H2,1-4H3
InChIKeyGNBBUJDJTDPTPV-UHFFFAOYSA-N
XLogP14.94
TPSA254.94 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002223.45
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one (CID 158305711) is 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one is CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CCC(=O)N1CCN(C(C)C)CC1.CC(C)CN(C)C(=O)N1CCN(C(C)C)CC1.CC(C)N1CCN(C(=O)CC(C)(C)C)CC1.CC(C)N1CCN(C(=O)CC2CC2)CC1.CC(C)N1CCN(C(=O)N(C)C(C)C)CC1.CC(C)N1CCN(C(=O)N(C)C)CC1.CC(C)N1CCN(C(=O)N(C)C2CC2)CC1.CCN(C)C(=O)N1CCN(C(C)C)CC1.CCN(CC)C(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
The InChIKey is GNBBUJDJTDPTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H27N3O.2C13H26N2O.C12H23N3O.C12H25N3O.C12H22N2O.C12H24N2O.C11H23N3O.C10H21N3O/c1-11(2)10-14(5)13(17)16-8-6-15(7-9-16)12(3)4;1-6-14(7-2)12(17)15-8-10-16(11-9-15)13(3,4)5;1-11(2)14-6-8-15(9-7-14)12(16)10-13(3,4)5;1-11(2)5-6-13(16)15-9-7-14(8-10-15)12(3)4;1-10(2)14-6-8-15(9-7-14)12(16)13(3)11-4-5-11;1-10(2)13(5)12(16)15-8-6-14(7-9-15)11(3)4;1-10(2)13-5-7-14(8-6-13)12(15)9-11-3-4-11;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-5-12(4)11(15)14-8-6-13(7-9-14)10(2)3;1-9(2)12-5-7-13(8-6-12)10(14)11(3)4/h11-12H,6-10H2,1-5H3;6-11H2,1-5H3;11H,6-10H2,1-5H3;11-12H,5-10H2,1-4H3;10-11H,4-9H2,1-3H3;10-11H,6-9H2,1-5H3;10-11H,3-9H2,1-2H3;10-11H,5-9H2,1-4H3;10H,5-9H2,1-4H3;9H,5-8H2,1-4H3.
What are the key properties of 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one has a molecular weight of 2223.45 g/mol, XLogP of 14.94, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;N-cyclopropyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;2-cyclopropyl-1-(4-propan-2-ylpiperazin-1-yl)ethanone;N,N-dimethyl-4-propan-2-ylpiperazine-1-carboxamide;3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N-ethyl-N-methyl-4-propan-2-ylpiperazine-1-carboxamide;N-methyl-N,4-di(propan-2-yl)piperazine-1-carboxamide;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 158305711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).