(3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C15H23N3O — CID 81129457

IUPAC(3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCC(C)N(Cc1ccccn1)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C15H23N3O/c1-12(2)18(11-14-7-3-4-9-17-14)15(19)13-6-5-8-16-10-13/h3-4,7,9,12-13,16H,5-6,8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyFUJHEGIMOMVXCG-ZDUSSCGKSA-N
MW261.37 g/mol
LogP1.82
Rot. Bonds4

About (3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

(3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 81129457) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID81129457
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCC(C)N(Cc1ccccn1)C(=O)[C@H]1CCCNC1
InChIInChI=1S/C15H23N3O/c1-12(2)18(11-14-7-3-4-9-17-14)15(19)13-6-5-8-16-10-13/h3-4,7,9,12-13,16H,5-6,8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyFUJHEGIMOMVXCG-ZDUSSCGKSA-N
XLogP1.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388294
N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119298606
cis-(1S,2R)-2-[propan-2-yl(pyridin-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378868
1-methyl-2-oxo-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 75461730
N-[(3-chlorophenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119289277
N-methyl-2-piperidin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 55105100
N-(2-methylpropyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 60944840
N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 81043974
3-piperidin-2-yl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 62210038
N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 122081130
2-(azetidin-3-ylidene)-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 116676557
(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407106

Frequently Asked Questions

What is the IUPAC name of (3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 81129457) is (3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is CC(C)N(Cc1ccccn1)C(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is FUJHEGIMOMVXCG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(2)18(11-14-7-3-4-9-17-14)15(19)13-6-5-8-16-10-13/h3-4,7,9,12-13,16H,5-6,8,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
(3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-propan-2-yl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 81129457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).