(3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide

C15H23N3O — CID 95842972

IUPAC(3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(CCCc2ccncc2)CCCNC1
InChIInChI=1S/C15H23N3O/c1-16-14(19)15(8-3-9-18-12-15)7-2-4-13-5-10-17-11-6-13/h5-6,10-11,18H,2-4,7-9,12H2,1H3,(H,16,19)/t15-/m0/s1
InChIKeyGZXVMGZXQNTUJI-HNNXBMFYSA-N
MW261.37 g/mol
LogP1.52
Rot. Bonds5

About (3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide

(3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide (PubChem CID 95842972) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
PubChem CID95842972
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(CCCc2ccncc2)CCCNC1
InChIInChI=1S/C15H23N3O/c1-16-14(19)15(8-3-9-18-12-15)7-2-4-13-5-10-17-11-6-13/h5-6,10-11,18H,2-4,7-9,12H2,1H3,(H,16,19)/t15-/m0/s1
InChIKeyGZXVMGZXQNTUJI-HNNXBMFYSA-N
XLogP1.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 55179348
(2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide
CID 95804902
ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate
CID 95220722
N,3-diethyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 63131555
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 95851579
3-ethyl-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 63130581
N,N,1-trimethyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
CID 110257992
3-ethyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 63132469
N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254
N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63132092
3-phenylpropyl 3-propylpiperidine-3-carboxylate
CID 63138075
3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 106979981

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide (CID 95842972) is (3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide is CNC(=O)[C@@]1(CCCc2ccncc2)CCCNC1.
What is the InChIKey of (3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide?
The InChIKey is GZXVMGZXQNTUJI-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-14(19)15(8-3-9-18-12-15)7-2-4-13-5-10-17-11-6-13/h5-6,10-11,18H,2-4,7-9,12H2,1H3,(H,16,19)/t15-/m0/s1.
What are the key properties of (3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide?
(3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 95842972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).