3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one

C25H29NO2 — CID 14508272

IUPAC3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one
SMILESO=C1CCCCCC1C(c1ccccc1)C1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C25H29NO2/c27-23-17-9-3-8-15-21(23)24(19-11-4-1-5-12-19)22-16-10-18-26(25(22)28)20-13-6-2-7-14-20/h1-2,4-7,11-14,21-22,24H,3,8-10,15-18H2
InChIKeyFJNDXFUDGCNHPR-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.36
Rot. Bonds4

About 3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one

3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one (PubChem CID 14508272) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one.

Molecular Properties

Compound Name3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one
PubChem CID14508272
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one
SMILESO=C1CCCCCC1C(c1ccccc1)C1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C25H29NO2/c27-23-17-9-3-8-15-21(23)24(19-11-4-1-5-12-19)22-16-10-18-26(25(22)28)20-13-6-2-7-14-20/h1-2,4-7,11-14,21-22,24H,3,8-10,15-18H2
InChIKeyFJNDXFUDGCNHPR-UHFFFAOYSA-N
XLogP5.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-phenyl-3-propan-2-ylpiperidin-2-one
CID 135182975
(2R)-2-[(S)-hydroxy(phenyl)methyl]cycloheptan-1-one
CID 12754674
(2R)-2-[(1S)-1-phenylethyl]cyclohexan-1-one
CID 134922507
2-(2-oxocyclohexyl)-2-phenylacetic acid
CID 13284199
(2R)-2-[(R)-hydroxy(phenyl)methyl]cyclohexan-1-one
CID 7038954
(2R)-2-[(S)-anilino(phenyl)methyl]cycloheptan-1-one
CID 101375640
2-[(2-oxocycloheptyl)-phenylmethyl]propanedinitrile
CID 122372610
3-amino-1-phenylazepan-2-one
CID 59657864
2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid
CID 115039422
(2S)-2-[(R)-nitro(phenyl)methyl]cyclohexan-1-one
CID 102034821
(2S)-2-[(R)-anilino(phenyl)methyl]cyclohexan-1-one
CID 948246
(2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one
CID 101013744

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one?
The IUPAC name of 3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one (CID 14508272) is 3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one.
What is the SMILES notation for 3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one?
The canonical SMILES for 3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one is O=C1CCCCCC1C(c1ccccc1)C1CCCN(c2ccccc2)C1=O.
What is the InChIKey of 3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one?
The InChIKey is FJNDXFUDGCNHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c27-23-17-9-3-8-15-21(23)24(19-11-4-1-5-12-19)22-16-10-18-26(25(22)28)20-13-6-2-7-14-20/h1-2,4-7,11-14,21-22,24H,3,8-10,15-18H2.
What are the key properties of 3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one?
3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one has a molecular weight of 375.51 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxocycloheptyl)-phenylmethyl]-1-phenylpiperidin-2-one is sourced from PubChem (CID 14508272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).