N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide

C19H26ClN3O2 — CID 120801926

IUPACN-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)C(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C19H26ClN3O2/c1-13(22-18(24)14-5-2-3-6-14)19(25)23-10-9-21-12-17(23)15-7-4-8-16(20)11-15/h4,7-8,11,13-14,17,21H,2-3,5-6,9-10,12H2,1H3,(H,22,24)
InChIKeyPXZIWOJFSRUVEO-UHFFFAOYSA-N
MW363.89 g/mol
LogP2.51
Rot. Bonds4

About N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide

N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide (PubChem CID 120801926) has the molecular formula C19H26ClN3O2 and a molecular weight of 363.89 g/mol. Its IUPAC name is N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
PubChem CID120801926
Molecular FormulaC19H26ClN3O2
Molecular Weight363.89 g/mol
Exact Mass363.17
IUPAC NameN-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)C(=O)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C19H26ClN3O2/c1-13(22-18(24)14-5-2-3-6-14)19(25)23-10-9-21-12-17(23)15-7-4-8-16(20)11-15/h4,7-8,11,13-14,17,21H,2-3,5-6,9-10,12H2,1H3,(H,22,24)
InChIKeyPXZIWOJFSRUVEO-UHFFFAOYSA-N
XLogP2.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide
CID 120731000
N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120802115
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methoxypropan-1-one
CID 120803481
1-[2-(3-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 120802381
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 120802410
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541
N-[1-[2-(3-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 120737082
[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 120802294
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one;hydrochloride
CID 120802085
1-[2-(3-chlorophenyl)piperazin-1-yl]-4,4-dimethylpentan-1-one;hydrochloride
CID 120803430
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120803381
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(3-methoxyphenyl)propan-1-one
CID 120802086

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide (CID 120801926) is N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide is CC(NC(=O)C1CCCC1)C(=O)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The InChIKey is PXZIWOJFSRUVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O2/c1-13(22-18(24)14-5-2-3-6-14)19(25)23-10-9-21-12-17(23)15-7-4-8-16(20)11-15/h4,7-8,11,13-14,17,21H,2-3,5-6,9-10,12H2,1H3,(H,22,24).
What are the key properties of N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide?
N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide has a molecular weight of 363.89 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 120801926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).