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

C18H20FN3O — CID 47803084

IUPAC1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C18H20FN3O/c19-16-5-1-3-14(11-16)12-22-10-2-4-15(13-22)18(23)21-17-6-8-20-9-7-17/h1,3,5-9,11,15H,2,4,10,12-13H2,(H,20,21,23)
InChIKeyTYSXYUKQDXYSHI-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.07
Rot. Bonds4

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

1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 47803084) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
PubChem CID47803084
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C18H20FN3O/c19-16-5-1-3-14(11-16)12-22-10-2-4-15(13-22)18(23)21-17-6-8-20-9-7-17/h1,3,5-9,11,15H,2,4,10,12-13H2,(H,20,21,23)
InChIKeyTYSXYUKQDXYSHI-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-[3-(cyclopropanecarbonylamino)phenyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 47805198
1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 43922322
(3R)-1-[(3-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94819145
N-(2-aminophenyl)-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119422659
(3S)-1-[(3-fluorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 95138806
1-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-3-methylurea
CID 86859369
(3S)-1-[(3-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-4-yl)piperidine-3-carboxamide
CID 95275205
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
N-[3-(azepan-1-yl)propyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 56545217
(3S)-N-[2-(dimethylamino)-2-oxoethyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94816306
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide (CID 47803084) is 1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide is O=C(Nc1ccncc1)C1CCCN(Cc2cccc(F)c2)C1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is TYSXYUKQDXYSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-16-5-1-3-14(11-16)12-22-10-2-4-15(13-22)18(23)21-17-6-8-20-9-7-17/h1,3,5-9,11,15H,2,4,10,12-13H2,(H,20,21,23).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide?
1-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-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-[(3-fluorophenyl)methyl]-N-pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 47803084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).