1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide

C18H20FN3O — CID 40921983

IUPAC1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccnc1)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN3O/c19-16-5-3-14(4-6-16)13-22-10-7-15(8-11-22)18(23)21-17-2-1-9-20-12-17/h1-6,9,12,15H,7-8,10-11,13H2,(H,21,23)
InChIKeyAHBHASVWWQQSFH-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.07
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide

1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide (PubChem CID 40921983) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
PubChem CID40921983
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccnc1)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN3O/c19-16-5-3-14(4-6-16)13-22-10-7-15(8-11-22)18(23)21-17-2-1-9-20-12-17/h1-6,9,12,15H,7-8,10-11,13H2,(H,21,23)
InChIKeyAHBHASVWWQQSFH-UHFFFAOYSA-N
XLogP3.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
1-[(2-chloro-6-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 45011773
1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 27234910
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 136512014
1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
(1S,5R,6R)-3-[(4-fluorophenyl)methyl]-N-pyridin-3-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 133142629
(3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 134808798
1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17223654
1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 124623266
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide (CID 40921983) is 1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide is O=C(Nc1cccnc1)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide?
The InChIKey is AHBHASVWWQQSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-16-5-3-14(4-6-16)13-22-10-7-15(8-11-22)18(23)21-17-2-1-9-20-12-17/h1-6,9,12,15H,7-8,10-11,13H2,(H,21,23).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide?
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 40921983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).