1-(4-acetyl-4-phenylpiperidin-1-yl)-3-cyclopentylpropan-1-one

C21H29NO2 — CID 134125745

IUPAC1-(4-acetyl-4-phenylpiperidin-1-yl)-3-cyclopentylpropan-1-one
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C21H29NO2/c1-17(23)21(19-9-3-2-4-10-19)13-15-22(16-14-21)20(24)12-11-18-7-5-6-8-18/h2-4,9-10,18H,5-8,11-16H2,1H3
InChIKeyWZWLKCJPIJWDPZ-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.11
Rot. Bonds5

About 1-(4-acetyl-4-phenylpiperidin-1-yl)-3-cyclopentylpropan-1-one

1-(4-acetyl-4-phenylpiperidin-1-yl)-3-cyclopentylpropan-1-one (PubChem CID 134125745) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-(4-acetyl-4-phenylpiperidin-1-yl)-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-(4-acetyl-4-phenylpiperidin-1-yl)-3-cyclopentylpropan-1-one
PubChem CID134125745
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name1-(4-acetyl-4-phenylpiperidin-1-yl)-3-cyclopentylpropan-1-one
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C21H29NO2/c1-17(23)21(19-9-3-2-4-10-19)13-15-22(16-14-21)20(24)12-11-18-7-5-6-8-18/h2-4,9-10,18H,5-8,11-16H2,1H3
InChIKeyWZWLKCJPIJWDPZ-UHFFFAOYSA-N
XLogP4.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methadone
CID 4095
Methsuximide
CID 6476
Normethadone
CID 10090
Levomethadone
CID 22267
(+)-Methadone
CID 643985
Phenglutarimide
CID 102669
Isomethadone
CID 10072
Sameridine
CID 65996
Norpipanone
CID 22391
Fenpiverinium
CID 71490
AI3-37157
CID 760213
Dipipanone
CID 13331

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-4-phenylpiperidin-1-yl)-3-cyclopentylpropan-1-one?
The IUPAC name of 1-(4-acetyl-4-phenylpiperidin-1-yl)-3-cyclopentylpropan-1-one (CID 134125745) is 1-(4-acetyl-4-phenylpiperidin-1-yl)-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-(4-acetyl-4-phenylpiperidin-1-yl)-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-(4-acetyl-4-phenylpiperidin-1-yl)-3-cyclopentylpropan-1-one is CC(=O)C1(c2ccccc2)CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 1-(4-acetyl-4-phenylpiperidin-1-yl)-3-cyclopentylpropan-1-one?
The InChIKey is WZWLKCJPIJWDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-17(23)21(19-9-3-2-4-10-19)13-15-22(16-14-21)20(24)12-11-18-7-5-6-8-18/h2-4,9-10,18H,5-8,11-16H2,1H3.
What are the key properties of 1-(4-acetyl-4-phenylpiperidin-1-yl)-3-cyclopentylpropan-1-one?
1-(4-acetyl-4-phenylpiperidin-1-yl)-3-cyclopentylpropan-1-one has a molecular weight of 327.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-4-phenylpiperidin-1-yl)-3-cyclopentylpropan-1-one is sourced from PubChem (CID 134125745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).