N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide

C20H31N4O2+ — CID 8582654

IUPACN-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCc1cccc(N2CC[NH+](CC(=O)NC(=O)NC3CCCC3)CC2)c1C
InChIInChI=1S/C20H30N4O2/c1-15-6-5-9-18(16(15)2)24-12-10-23(11-13-24)14-19(25)22-20(26)21-17-7-3-4-8-17/h5-6,9,17H,3-4,7-8,10-14H2,1-2H3,(H2,21,22,25,26)/p+1
InChIKeyVNHWPWHJZWZONC-UHFFFAOYSA-O
MW359.49 g/mol
LogP0.78
Rot. Bonds4

About N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide

N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 8582654) has the molecular formula C20H31N4O2+ and a molecular weight of 359.49 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID8582654
Molecular FormulaC20H31N4O2+
Molecular Weight359.49 g/mol
Exact Mass359.24
IUPAC NameN-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCc1cccc(N2CC[NH+](CC(=O)NC(=O)NC3CCCC3)CC2)c1C
InChIInChI=1S/C20H30N4O2/c1-15-6-5-9-18(16(15)2)24-12-10-23(11-13-24)14-19(25)22-20(26)21-17-7-3-4-8-17/h5-6,9,17H,3-4,7-8,10-14H2,1-2H3,(H2,21,22,25,26)/p+1
InChIKeyVNHWPWHJZWZONC-UHFFFAOYSA-O
XLogP0.78
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide
CID 2573315
N-(cyclopropylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8528975
(2S)-N-cyclopentyl-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide
CID 2411592
N-(cyclohexylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2655453
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8582796
2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetate
CID 42182596
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108868301
N-butyl-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8582982
2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide
CID 8725268
N-cyclopentyl-4-(2,3-dimethylphenyl)piperazine-1-carbothioamide
CID 17371349
N-cyclopentyl-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9118004
1-(4-benzylpiperidin-1-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanone
CID 8582868

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide (CID 8582654) is N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide is Cc1cccc(N2CC[NH+](CC(=O)NC(=O)NC3CCCC3)CC2)c1C.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is VNHWPWHJZWZONC-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H30N4O2/c1-15-6-5-9-18(16(15)2)24-12-10-23(11-13-24)14-19(25)22-20(26)21-17-7-3-4-8-17/h5-6,9,17H,3-4,7-8,10-14H2,1-2H3,(H2,21,22,25,26)/p+1.
What are the key properties of N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide?
N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 359.49 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8582654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).