(4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone

C24H24N2O — CID 45178461

IUPAC(4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)C1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C24H24N2O/c27-24(22-12-10-21(11-13-22)20-7-2-1-3-8-20)23-9-5-15-26(18-23)17-19-6-4-14-25-16-19/h1-4,6-8,10-14,16,23H,5,9,15,17-18H2
InChIKeyFHLGMVCRCMXFMI-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.84
Rot. Bonds5

About (4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone

(4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone (PubChem CID 45178461) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is (4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
PubChem CID45178461
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name(4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)C1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C24H24N2O/c27-24(22-12-10-21(11-13-22)20-7-2-1-3-8-20)23-9-5-15-26(18-23)17-19-6-4-14-25-16-19/h1-4,6-8,10-14,16,23H,5,9,15,17-18H2
InChIKeyFHLGMVCRCMXFMI-UHFFFAOYSA-N
XLogP4.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
CID 142430235
(4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 95130724
[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 126837846
[(2R)-2,4-dimethylpiperazin-1-yl]-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 124856003
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45231856
1-[[3-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125840
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 72901707
1-benzylpiperidine-3-carbonyl chloride
CID 22006205

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of (4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone (CID 45178461) is (4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone is O=C(c1ccc(-c2ccccc2)cc1)C1CCCN(Cc2cccnc2)C1.
What is the InChIKey of (4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is FHLGMVCRCMXFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c27-24(22-12-10-21(11-13-22)20-7-2-1-3-8-20)23-9-5-15-26(18-23)17-19-6-4-14-25-16-19/h1-4,6-8,10-14,16,23H,5,9,15,17-18H2.
What are the key properties of (4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone?
(4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 45178461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).