2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide

C18H26ClN4O2+ — CID 2573315

IUPAC2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(C[NH+]1CCN(c2ccccc2Cl)CC1)NC(=O)NC1CCCC1
InChIInChI=1S/C18H25ClN4O2/c19-15-7-3-4-8-16(15)23-11-9-22(10-12-23)13-17(24)21-18(25)20-14-5-1-2-6-14/h3-4,7-8,14H,1-2,5-6,9-13H2,(H2,20,21,24,25)/p+1
InChIKeyLHVQXWANOWNKPZ-UHFFFAOYSA-O
MW365.89 g/mol
LogP0.81
Rot. Bonds4

About 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide

2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide (PubChem CID 2573315) has the molecular formula C18H26ClN4O2+ and a molecular weight of 365.89 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide
PubChem CID2573315
Molecular FormulaC18H26ClN4O2+
Molecular Weight365.89 g/mol
Exact Mass365.17
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide
SMILESO=C(C[NH+]1CCN(c2ccccc2Cl)CC1)NC(=O)NC1CCCC1
InChIInChI=1S/C18H25ClN4O2/c19-15-7-3-4-8-16(15)23-11-9-22(10-12-23)13-17(24)21-18(25)20-14-5-1-2-6-14/h3-4,7-8,14H,1-2,5-6,9-13H2,(H2,20,21,24,25)/p+1
InChIKeyLHVQXWANOWNKPZ-UHFFFAOYSA-O
XLogP0.81
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8528975
N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8582654
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 8704491
N-(cyclohexylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2655453
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2122916
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(cyclohexylcarbamoyl)propanamide
CID 8704500
2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8528487
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8704673
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 8528366
N-(cyclohexylcarbamoyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 9259448
2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9443333

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide (CID 2573315) is 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide is O=C(C[NH+]1CCN(c2ccccc2Cl)CC1)NC(=O)NC1CCCC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide?
The InChIKey is LHVQXWANOWNKPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H25ClN4O2/c19-15-7-3-4-8-16(15)23-11-9-22(10-12-23)13-17(24)21-18(25)20-14-5-1-2-6-14/h3-4,7-8,14H,1-2,5-6,9-13H2,(H2,20,21,24,25)/p+1.
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide?
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide has a molecular weight of 365.89 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide is sourced from PubChem (CID 2573315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).