N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide

C25H29N3O4 — CID 55808081

IUPACN-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3cccc(NC(=O)C4CC4C)c3)CC2)ccc1C
InChIInChI=1S/C25H29N3O4/c1-16-7-8-19(15-22(16)32-3)25(31)28-11-9-27(10-12-28)24(30)18-5-4-6-20(14-18)26-23(29)21-13-17(21)2/h4-8,14-15,17,21H,9-13H2,1-3H3,(H,26,29)
InChIKeyLZGDKZUXLZWWER-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.20
Rot. Bonds5

About N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide

N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 55808081) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID55808081
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3cccc(NC(=O)C4CC4C)c3)CC2)ccc1C
InChIInChI=1S/C25H29N3O4/c1-16-7-8-19(15-22(16)32-3)25(31)28-11-9-27(10-12-28)24(30)18-5-4-6-20(14-18)26-23(29)21-13-17(21)2/h4-8,14-15,17,21H,9-13H2,1-3H3,(H,26,29)
InChIKeyLZGDKZUXLZWWER-UHFFFAOYSA-N
XLogP3.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-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-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 55651270
N-(2-methoxyphenyl)-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperidine-4-carboxamide
CID 46432087
2-methyl-N-[3-(4-phenylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 55647883
3-methoxy-4-methyl-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 55748732
2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119562707
1-(3,4-dimethylbenzoyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007461
4-(3-methoxy-4-methylbenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 47049545
1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55815541
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
2-methyl-N-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 55650507
N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
CID 120655838
1-(3,4-dimethoxybenzoyl)-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 113006445

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide (CID 55808081) is N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide is COc1cc(C(=O)N2CCN(C(=O)c3cccc(NC(=O)C4CC4C)c3)CC2)ccc1C.
What is the InChIKey of N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is LZGDKZUXLZWWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-16-7-8-19(15-22(16)32-3)25(31)28-11-9-27(10-12-28)24(30)18-5-4-6-20(14-18)26-23(29)21-13-17(21)2/h4-8,14-15,17,21H,9-13H2,1-3H3,(H,26,29).
What are the key properties of N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide?
N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 55808081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).