N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide

C20H28ClN3O2 — CID 109139074

IUPACN-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H28ClN3O2/c1-3-4-8-22(2)19(25)17-14-18(17)20(26)24-11-9-23(10-12-24)16-7-5-6-15(21)13-16/h5-7,13,17-18H,3-4,8-12,14H2,1-2H3
InChIKeyDSBHIQDJCNYTMR-UHFFFAOYSA-N
MW377.92 g/mol
LogP2.88
Rot. Bonds6

About N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide

N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide (PubChem CID 109139074) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide
PubChem CID109139074
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC NameN-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide
SMILESCCCCN(C)C(=O)C1CC1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H28ClN3O2/c1-3-4-8-22(2)19(25)17-14-18(17)20(26)24-11-9-23(10-12-24)16-7-5-6-15(21)13-16/h5-7,13,17-18H,3-4,8-12,14H2,1-2H3
InChIKeyDSBHIQDJCNYTMR-UHFFFAOYSA-N
XLogP2.88
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-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-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109149374
N-tert-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139071
2-(4-benzylpiperidine-1-carbonyl)-N-butyl-N-methylcyclopropane-1-carboxamide
CID 109140121
1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
CID 90513796
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 51292072
N-ethyl-N-phenyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138426
[2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131849
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
N-benzyl-N-ethyl-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136754
N-butyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978748

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide?
The IUPAC name of N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide (CID 109139074) is N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide is CCCCN(C)C(=O)C1CC1C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide?
The InChIKey is DSBHIQDJCNYTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-3-4-8-22(2)19(25)17-14-18(17)20(26)24-11-9-23(10-12-24)16-7-5-6-15(21)13-16/h5-7,13,17-18H,3-4,8-12,14H2,1-2H3.
What are the key properties of N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide?
N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide has a molecular weight of 377.92 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 109139074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).