[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone

C19H27ClN2O — CID 55642127

IUPAC[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1
InChIInChI=1S/C19H27ClN2O/c1-15(2)21-11-13-22(14-12-21)18(23)19(9-3-4-10-19)16-5-7-17(20)8-6-16/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyWWPBKUNMIGTUDI-UHFFFAOYSA-N
MW334.89 g/mol
LogP3.70
Rot. Bonds3

About [1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone

[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 55642127) has the molecular formula C19H27ClN2O and a molecular weight of 334.89 g/mol. Its IUPAC name is [1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID55642127
Molecular FormulaC19H27ClN2O
Molecular Weight334.89 g/mol
Exact Mass334.18
IUPAC Name[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1
InChIInChI=1S/C19H27ClN2O/c1-15(2)21-11-13-22(14-12-21)18(23)19(9-3-4-10-19)16-5-7-17(20)8-6-16/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeyWWPBKUNMIGTUDI-UHFFFAOYSA-N
XLogP3.70
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.89
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165735
[1-(3-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55687550
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
2-[4-[1-(4-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55521589
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
[1-(4-chlorophenyl)cyclopentyl]-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 45284166
[1-(4-chlorophenyl)cyclopentyl]-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122334059
(5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone
CID 55716635
[1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone
CID 70898167
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
[1-(4-chlorophenyl)cyclopentyl]-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341570

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 55642127) is [1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is WWPBKUNMIGTUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O/c1-15(2)21-11-13-22(14-12-21)18(23)19(9-3-4-10-19)16-5-7-17(20)8-6-16/h5-8,15H,3-4,9-14H2,1-2H3.
What are the key properties of [1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 334.89 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)cyclopentyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 55642127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).