1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone

C24H24N2O — CID 72933718

IUPAC1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C24H24N2O/c27-23(17-20-9-7-15-25-18-20)26-16-8-14-24(19-26,21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-7,9-13,15,18H,8,14,16-17,19H2
InChIKeyKAJRAOLLUREYCK-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.23
Rot. Bonds4

About 1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone

1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone (PubChem CID 72933718) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone
PubChem CID72933718
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C24H24N2O/c27-23(17-20-9-7-15-25-18-20)26-16-8-14-24(19-26,21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-7,9-13,15,18H,8,14,16-17,19H2
InChIKeyKAJRAOLLUREYCK-UHFFFAOYSA-N
XLogP4.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-N,N-dimethyl-9-(2-pyridin-3-ylacetyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97370537
N-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-2-methylpropanamide
CID 72841382
1-[(5R)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 97370532
1-(3-hydroxy-3-pyridin-3-ylpiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 168923879
3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 146130229
(3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609452
2-pyridin-3-yl-1-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 98776766
(5R)-9-(2-pyridin-3-ylacetyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95714313
1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 98776791
2-pyridin-3-yl-1-[(5R)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 97370510
1-[2-(6-methyl-2-pyridinyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 118741130
(3S)-3-[[4-(2-fluorophenyl)phenyl]methyl]-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxamide
CID 92573903

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone (CID 72933718) is 1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCCC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone?
The InChIKey is KAJRAOLLUREYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c27-23(17-20-9-7-15-25-18-20)26-16-8-14-24(19-26,21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-7,9-13,15,18H,8,14,16-17,19H2.
What are the key properties of 1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone?
1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone has a molecular weight of 356.47 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpiperidin-1-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 72933718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).