(3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

C14H27N3O — CID 81124488

IUPAC(3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)[C@H]2CCCNC2)CC1
InChIInChI=1S/C14H27N3O/c1-11(2)17-8-5-13(6-9-17)16-14(18)12-4-3-7-15-10-12/h11-13,15H,3-10H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyTXIANFWAXNULHU-LBPRGKRZSA-N
MW253.39 g/mol
LogP0.98
Rot. Bonds3

About (3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

(3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 81124488) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID81124488
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)[C@H]2CCCNC2)CC1
InChIInChI=1S/C14H27N3O/c1-11(2)17-8-5-13(6-9-17)16-14(18)12-4-3-7-15-10-12/h11-13,15H,3-10H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyTXIANFWAXNULHU-LBPRGKRZSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-cyclobutylpiperidine-3-carboxamide
CID 81141296
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
(3S)-N-(1-methylsulfonylpiperidin-4-yl)piperidine-3-carboxamide
CID 81123219
N-[1-[(3R)-piperidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 81129562
N-[1-(piperidine-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;hydrochloride
CID 119278114
N-(4-tert-butylcyclohexyl)piperidine-3-carboxamide
CID 140506457
2-oxo-N-(1-propan-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 139302184
(3R)-N-(3,5-dimethylcyclohexyl)piperidine-3-carboxamide
CID 81134524
N-[3-(methylamino)cyclopentyl]piperidine-3-carboxamide
CID 178010430
N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 55149500
(3S)-N-(oxetan-3-yl)piperidine-3-carboxamide
CID 81134235
4-(cyclopentanecarbonylamino)-N-piperidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119427846

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (CID 81124488) is (3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is CC(C)N1CCC(NC(=O)[C@H]2CCCNC2)CC1.
What is the InChIKey of (3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is TXIANFWAXNULHU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)17-8-5-13(6-9-17)16-14(18)12-4-3-7-15-10-12/h11-13,15H,3-10H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
(3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 81124488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).