N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide

C18H26N4O2 — CID 86987867

IUPACN-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)N2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C18H26N4O2/c1-14(23)19-15-5-4-6-16(13-15)20-18(24)22-11-9-21(10-12-22)17-7-2-3-8-17/h4-6,13,17H,2-3,7-12H2,1H3,(H,19,23)(H,20,24)
InChIKeyZHCGBVCKWAACAC-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.74
Rot. Bonds3

About N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide

N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide (PubChem CID 86987867) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
PubChem CID86987867
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)N2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C18H26N4O2/c1-14(23)19-15-5-4-6-16(13-15)20-18(24)22-11-9-21(10-12-22)17-7-2-3-8-17/h4-6,13,17H,2-3,7-12H2,1H3,(H,19,23)(H,20,24)
InChIKeyZHCGBVCKWAACAC-UHFFFAOYSA-N
XLogP2.74
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide
CID 71984770
methyl 3-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104448
N-(4-acetamidophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103473
N-(5-acetamido-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987888
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185073
N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 62369641
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CID 113110558
4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 17185082
(9aR)-N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 97022143

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide (CID 86987867) is N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide is CC(=O)Nc1cccc(NC(=O)N2CCN(C3CCCC3)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide?
The InChIKey is ZHCGBVCKWAACAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(23)19-15-5-4-6-16(13-15)20-18(24)22-11-9-21(10-12-22)17-7-2-3-8-17/h4-6,13,17H,2-3,7-12H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide?
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide is sourced from PubChem (CID 86987867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).