N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

C24H29N3O2 — CID 108975522

IUPACN-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3(C(=O)N(C)Cc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C24H29N3O2/c1-19-7-6-10-21(17-19)26-13-15-27(16-14-26)23(29)24(11-12-24)22(28)25(2)18-20-8-4-3-5-9-20/h3-10,17H,11-16,18H2,1-2H3
InChIKeyCFFWPDAZUVVMAR-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.08
Rot. Bonds5

About N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide

N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 108975522) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID108975522
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC NameN-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)C3(C(=O)N(C)Cc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C24H29N3O2/c1-19-7-6-10-21(17-19)26-13-15-27(16-14-26)23(29)24(11-12-24)22(28)25(2)18-20-8-4-3-5-9-20/h3-10,17H,11-16,18H2,1-2H3
InChIKeyCFFWPDAZUVVMAR-UHFFFAOYSA-N
XLogP3.08
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108988839
N-butyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978748
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108977101
N-benzyl-N-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975526
N-benzyl-N-methyl-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975525
N-butyl-N-methyl-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978160
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclopropane-1-carboxamide
CID 108970450
N-(2-methoxyphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978773
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 108976949
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide
CID 108518852
N-(2-chlorophenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978770
N-(2-methoxyethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108972715

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide (CID 108975522) is N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is Cc1cccc(N2CCN(C(=O)C3(C(=O)N(C)Cc4ccccc4)CC3)CC2)c1.
What is the InChIKey of N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is CFFWPDAZUVVMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-19-7-6-10-21(17-19)26-13-15-27(16-14-26)23(29)24(11-12-24)22(28)25(2)18-20-8-4-3-5-9-20/h3-10,17H,11-16,18H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide?
N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 108975522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).