2-cyclopentyl-1-[4-[3-[3-(dimethylamino)phenyl]phenyl]piperidin-1-yl]ethanone

C26H34N2O — CID 171682100

IUPAC2-cyclopentyl-1-[4-[3-[3-(dimethylamino)phenyl]phenyl]piperidin-1-yl]ethanone
SMILESCN(C)c1cccc(-c2cccc(C3CCN(C(=O)CC4CCCC4)CC3)c2)c1
InChIInChI=1S/C26H34N2O/c1-27(2)25-12-6-11-24(19-25)23-10-5-9-22(18-23)21-13-15-28(16-14-21)26(29)17-20-7-3-4-8-20/h5-6,9-12,18-21H,3-4,7-8,13-17H2,1-2H3
InChIKeyYJIZSDPTUHSOBB-UHFFFAOYSA-N
MW390.57 g/mol
LogP5.71
Rot. Bonds5

About 2-cyclopentyl-1-[4-[3-[3-(dimethylamino)phenyl]phenyl]piperidin-1-yl]ethanone

2-cyclopentyl-1-[4-[3-[3-(dimethylamino)phenyl]phenyl]piperidin-1-yl]ethanone (PubChem CID 171682100) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[3-[3-(dimethylamino)phenyl]phenyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[3-[3-(dimethylamino)phenyl]phenyl]piperidin-1-yl]ethanone
PubChem CID171682100
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name2-cyclopentyl-1-[4-[3-[3-(dimethylamino)phenyl]phenyl]piperidin-1-yl]ethanone
SMILESCN(C)c1cccc(-c2cccc(C3CCN(C(=O)CC4CCCC4)CC3)c2)c1
InChIInChI=1S/C26H34N2O/c1-27(2)25-12-6-11-24(19-25)23-10-5-9-22(18-23)21-13-15-28(16-14-21)26(29)17-20-7-3-4-8-20/h5-6,9-12,18-21H,3-4,7-8,13-17H2,1-2H3
InChIKeyYJIZSDPTUHSOBB-UHFFFAOYSA-N
XLogP5.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 22585642
4-(3-phenylphenyl)piperidine-1-carboxylic acid
CID 151080045
2-(dimethylamino)-1-[4-[3-[6-(hydroxymethyl)-3-pyridinyl]phenyl]piperidin-1-yl]ethanone
CID 171834481
1-[4-(3-aminophenyl)piperidin-1-yl]-2-(dimethylamino)ethanone
CID 68678854
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[4-[3-(dimethylamino)phenyl]phenyl]piperazin-1-yl]ethanone
CID 58826279
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylcyclohexyl)ethanone
CID 119562932
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]ethanone
CID 119889839
2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 93480750
1-[4-[3-(cyclohexen-1-yl)phenyl]piperidin-1-yl]ethanone
CID 141166525
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
2-cyclopentyl-1-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)ethanone
CID 121191833
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[3-[3-(dimethylamino)phenyl]phenyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[3-[3-(dimethylamino)phenyl]phenyl]piperidin-1-yl]ethanone (CID 171682100) is 2-cyclopentyl-1-[4-[3-[3-(dimethylamino)phenyl]phenyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[3-[3-(dimethylamino)phenyl]phenyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[3-[3-(dimethylamino)phenyl]phenyl]piperidin-1-yl]ethanone is CN(C)c1cccc(-c2cccc(C3CCN(C(=O)CC4CCCC4)CC3)c2)c1.
What is the InChIKey of 2-cyclopentyl-1-[4-[3-[3-(dimethylamino)phenyl]phenyl]piperidin-1-yl]ethanone?
The InChIKey is YJIZSDPTUHSOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O/c1-27(2)25-12-6-11-24(19-25)23-10-5-9-22(18-23)21-13-15-28(16-14-21)26(29)17-20-7-3-4-8-20/h5-6,9-12,18-21H,3-4,7-8,13-17H2,1-2H3.
What are the key properties of 2-cyclopentyl-1-[4-[3-[3-(dimethylamino)phenyl]phenyl]piperidin-1-yl]ethanone?
2-cyclopentyl-1-[4-[3-[3-(dimethylamino)phenyl]phenyl]piperidin-1-yl]ethanone has a molecular weight of 390.57 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[3-[3-(dimethylamino)phenyl]phenyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 171682100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).