N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C23H27N3O2 — CID 108974926

IUPACN-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1CNC(=O)C1(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C23H27N3O2/c1-18-7-5-6-8-19(18)17-24-21(27)23(11-12-23)22(28)26-15-13-25(14-16-26)20-9-3-2-4-10-20/h2-10H,11-17H2,1H3,(H,24,27)
InChIKeyMVJYJCHCJLRAPC-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.74
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108974926) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108974926
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1CNC(=O)C1(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C23H27N3O2/c1-18-7-5-6-8-19(18)17-24-21(27)23(11-12-23)22(28)26-15-13-25(14-16-26)20-9-3-2-4-10-20/h2-10H,11-17H2,1H3,(H,24,27)
InChIKeyMVJYJCHCJLRAPC-UHFFFAOYSA-N
XLogP2.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974414
1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974899
1-(2,3-dihydroindole-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974961
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108977101
N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108974595
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 108976949
4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106761
1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974951
3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108961688
N-[(2-fluorophenyl)methyl]-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975668
1-N-[(2-methylphenyl)methyl]-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108974902
N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188154

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 108974926) is N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is Cc1ccccc1CNC(=O)C1(C(=O)N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is MVJYJCHCJLRAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-18-7-5-6-8-19(18)17-24-21(27)23(11-12-23)22(28)26-15-13-25(14-16-26)20-9-3-2-4-10-20/h2-10H,11-17H2,1H3,(H,24,27).
What are the key properties of N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108974926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).