3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

C15H23N3O — CID 55179348

IUPAC3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ccncc2)CCCNC1
InChIInChI=1S/C15H23N3O/c1-2-6-15(7-3-8-17-12-15)14(19)18-11-13-4-9-16-10-5-13/h4-5,9-10,17H,2-3,6-8,11-12H2,1H3,(H,18,19)
InChIKeyFKCSFYMLDPZQQV-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.87
Rot. Bonds5

About 3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 55179348) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID55179348
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ccncc2)CCCNC1
InChIInChI=1S/C15H23N3O/c1-2-6-15(7-3-8-17-12-15)14(19)18-11-13-4-9-16-10-5-13/h4-5,9-10,17H,2-3,6-8,11-12H2,1H3,(H,18,19)
InChIKeyFKCSFYMLDPZQQV-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254
N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63132092
3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide
CID 114181937
3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 55176838
N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106390774
N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63135385
3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 63134919
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
(3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
CID 95842972
N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106416484
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 115990066

Frequently Asked Questions

What is the IUPAC name of 3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 55179348) is 3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is CCCC1(C(=O)NCc2ccncc2)CCCNC1.
What is the InChIKey of 3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is FKCSFYMLDPZQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-6-15(7-3-8-17-12-15)14(19)18-11-13-4-9-16-10-5-13/h4-5,9-10,17H,2-3,6-8,11-12H2,1H3,(H,18,19).
What are the key properties of 3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 55179348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).