N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide

C19H27N3O2 — CID 110812326

IUPACN-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NC3CCCC3)CC2)c(C)c1
InChIInChI=1S/C19H27N3O2/c1-14-7-8-17(15(2)13-14)18(23)21-9-11-22(12-10-21)19(24)20-16-5-3-4-6-16/h7-8,13,16H,3-6,9-12H2,1-2H3,(H,20,24)
InChIKeyGOHLFAAYENEMAR-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.71
Rot. Bonds2

About N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide

N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide (PubChem CID 110812326) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide
PubChem CID110812326
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NC3CCCC3)CC2)c(C)c1
InChIInChI=1S/C19H27N3O2/c1-14-7-8-17(15(2)13-14)18(23)21-9-11-22(12-10-21)19(24)20-16-5-3-4-6-16/h7-8,13,16H,3-6,9-12H2,1-2H3,(H,20,24)
InChIKeyGOHLFAAYENEMAR-UHFFFAOYSA-N
XLogP2.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide 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

N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide
CID 110812610
N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110811448
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
N-cyclopentyl-4-[2-(2,4-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813824
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 38217781
N-cyclohexyl-4-[2-(2,4-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813819
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide
CID 55558241
N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813643
N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113075398
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide (CID 110812326) is N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide is Cc1ccc(C(=O)N2CCN(C(=O)NC3CCCC3)CC2)c(C)c1.
What is the InChIKey of N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide?
The InChIKey is GOHLFAAYENEMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-7-8-17(15(2)13-14)18(23)21-9-11-22(12-10-21)19(24)20-16-5-3-4-6-16/h7-8,13,16H,3-6,9-12H2,1-2H3,(H,20,24).
What are the key properties of N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide?
N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 110812326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).