N-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

C24H29N3O2 — CID 108978759

IUPACN-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3(C(=O)Nc4ccc(C)cc4C)CC3)CC2)c1
InChIInChI=1S/C24H29N3O2/c1-17-5-4-6-20(16-17)26-11-13-27(14-12-26)23(29)24(9-10-24)22(28)25-21-8-7-18(2)15-19(21)3/h4-8,15-16H,9-14H2,1-3H3,(H,25,28)
InChIKeyLFALHXIVSLAMEB-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.68
Rot. Bonds4

About N-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

N-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 108978759) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID108978759
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3(C(=O)Nc4ccc(C)cc4C)CC3)CC2)c1
InChIInChI=1S/C24H29N3O2/c1-17-5-4-6-20(16-17)26-11-13-27(14-12-26)23(29)24(9-10-24)22(28)25-21-8-7-18(2)15-19(21)3/h4-8,15-16H,9-14H2,1-3H3,(H,25,28)
InChIKeyLFALHXIVSLAMEB-UHFFFAOYSA-N
XLogP3.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.68
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

N-(2-chlorophenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978770
N-(2,4-dimethylphenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978994
N-(2-methoxyphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978773
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 108970450
N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978231
N-(2-methoxyethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108972715
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108977101
N-(2,4-dimethylphenyl)-2-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109139007
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 108976949
N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108974595
N-(2,5-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971649
1-N'-(2,6-dichlorophenyl)-1-N-(2,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981286

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (CID 108978759) is N-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is Cc1cccc(N2CCN(C(=O)C3(C(=O)Nc4ccc(C)cc4C)CC3)CC2)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is LFALHXIVSLAMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17-5-4-6-20(16-17)26-11-13-27(14-12-26)23(29)24(9-10-24)22(28)25-21-8-7-18(2)15-19(21)3/h4-8,15-16H,9-14H2,1-3H3,(H,25,28).
What are the key properties of N-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
N-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 108978759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).