4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine

C47H95N5O2 — CID 162176246

IUPAC4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine
SMILESCCC(=O)N1CCC(C(C)(C)C)CC1.CCCN1CCC(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CN(C)C(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O.C12H23NO.C12H25N.C11H23N/c1-12(2,3)10-6-8-14(9-7-10)11(15)13(4)5;1-5-11(14)13-8-6-10(7-9-13)12(2,3)4;1-5-8-13-9-6-11(7-10-13)12(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4/h10H,6-9H2,1-5H3;10H,5-9H2,1-4H3;11H,5-10H2,1-4H3;10H,5-9H2,1-4H3
InChIKeyZOKZSVRSPFABBX-UHFFFAOYSA-N
MW762.31 g/mol
LogP11.03
Rot. Bonds4

About 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine

4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine (PubChem CID 162176246) has the molecular formula C47H95N5O2 and a molecular weight of 762.31 g/mol. Its IUPAC name is 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine.

Molecular Properties

Compound Name4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine
PubChem CID162176246
Molecular FormulaC47H95N5O2
Molecular Weight762.31 g/mol
Exact Mass761.75
IUPAC Name4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine
SMILESCCC(=O)N1CCC(C(C)(C)C)CC1.CCCN1CCC(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CN(C)C(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H24N2O.C12H23NO.C12H25N.C11H23N/c1-12(2,3)10-6-8-14(9-7-10)11(15)13(4)5;1-5-11(14)13-8-6-10(7-9-13)12(2,3)4;1-5-8-13-9-6-11(7-10-13)12(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4/h10H,6-9H2,1-5H3;10H,5-9H2,1-4H3;11H,5-10H2,1-4H3;10H,5-9H2,1-4H3
InChIKeyZOKZSVRSPFABBX-UHFFFAOYSA-N
XLogP11.03
TPSA50.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.31
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine with MolForge

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Related Compounds

1-(4-Tert-butyl-2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperidin-1-yl)ethanone;4-tert-butyl-2,2,3,3,4-pentadeuteriopiperidine-1-carboxamide;4-tert-butyl-3,3,4,5,5-pentadeuteriopiperidine-1-carboxamide;4-tert-butyl-2,2,3,3-tetradeuteriopiperidine-1-carboxamide;1-(4-tert-butyl-2,2,6,6-tetradeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-3,3,5,5-tetradeuteriopiperidin-1-yl)ethanone;methane
CID 157965041
4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]propan-1-one
CID 158034861
1-(4-Tert-butyl-2,2,3,3,4,5,5,6,6-nonadeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-2,2,3,3,5,5,6,6-octadeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-2,2,3,3,4-pentadeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-3,3,4,5,5-pentadeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-2,2,3,3-tetradeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-2,2,6,6-tetradeuteriopiperidin-1-yl)ethanone;1-(4-tert-butyl-3,3,5,5-tetradeuteriopiperidin-1-yl)ethanone;methane
CID 159520021
1-(3-Methyl-1,3-diazinan-1-yl)ethanone;1-(4-methylpiperazin-1-yl)ethanone;1-(3-methylpiperidin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone
CID 159529918
4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine;1-[4-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 159933974
Carbanide;1-[1-methyl-4-[(1-methyl-1-propanoylpiperidin-1-ium-4-yl)methyl]piperidin-1-ium-1-yl]propan-1-one;1-[4-[(1-propanoylpiperidin-4-yl)methyl]piperidin-1-yl]propan-1-one
CID 160592103
1-(4-Ethylpiperidin-1-yl)propan-1-one
CID 161769157
2-Methyl-1-[9-[[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-4-yl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 172096712
1-(3,5-Dimethylpiperidin-1-yl)-2-methylpropan-1-one;1-methyl-4-propan-2-ylpiperidine;1-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 177967433

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine?
The IUPAC name of 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine (CID 162176246) is 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine.
What is the SMILES notation for 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine?
The canonical SMILES for 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine is CCC(=O)N1CCC(C(C)(C)C)CC1.CCCN1CCC(C(C)(C)C)CC1.CCN1CCC(C(C)(C)C)CC1.CN(C)C(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine?
The InChIKey is ZOKZSVRSPFABBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.C12H23NO.C12H25N.C11H23N/c1-12(2,3)10-6-8-14(9-7-10)11(15)13(4)5;1-5-11(14)13-8-6-10(7-9-13)12(2,3)4;1-5-8-13-9-6-11(7-10-13)12(2,3)4;1-5-12-8-6-10(7-9-12)11(2,3)4/h10H,6-9H2,1-5H3;10H,5-9H2,1-4H3;11H,5-10H2,1-4H3;10H,5-9H2,1-4H3.
What are the key properties of 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine?
4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine has a molecular weight of 762.31 g/mol, XLogP of 11.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;4-tert-butyl-1-ethylpiperidine;1-(4-tert-butylpiperidin-1-yl)propan-1-one;4-tert-butyl-1-propylpiperidine is sourced from PubChem (CID 162176246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).