[5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone

C25H24N2O — CID 174395737

IUPAC[5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1cncc(C=Cc2ccccc2)c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H24N2O/c28-25(27-15-13-23(14-16-27)22-9-5-2-6-10-22)24-17-21(18-26-19-24)12-11-20-7-3-1-4-8-20/h1-12,17-19,23H,13-16H2
InChIKeyBPGNLBMDILRKRY-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.27
Rot. Bonds4

About [5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone

[5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 174395737) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is [5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID174395737
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name[5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1cncc(C=Cc2ccccc2)c1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C25H24N2O/c28-25(27-15-13-23(14-16-27)22-9-5-2-6-10-22)24-17-21(18-26-19-24)12-11-20-7-3-1-4-8-20/h1-12,17-19,23H,13-16H2
InChIKeyBPGNLBMDILRKRY-UHFFFAOYSA-N
XLogP5.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-hydroxy-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 63859040
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone
CID 85325965
3-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 54974747
[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 44765726
(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581702
3-[5-(3,5-dimethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 76909065
4-phenylpiperidine-1-carbothioic S-acid
CID 174725157
[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799605
[5-(cyclopropylamino)-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109223817
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 146427603
2-(4-phenylpiperidine-1-carbonyl)anthracene-9,10-dione
CID 633858

Frequently Asked Questions

What is the IUPAC name of [5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone (CID 174395737) is [5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone is O=C(c1cncc(C=Cc2ccccc2)c1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of [5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is BPGNLBMDILRKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c28-25(27-15-13-23(14-16-27)22-9-5-2-6-10-22)24-17-21(18-26-19-24)12-11-20-7-3-1-4-8-20/h1-12,17-19,23H,13-16H2.
What are the key properties of [5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone?
[5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 368.48 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 174395737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).