N-[3-(dimethylamino)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide

C24H30N4O2 — CID 157036333

IUPACN-[3-(dimethylamino)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2N(C)C)C(c2ccccc2)C1
InChIInChI=1S/C24H30N4O2/c1-26(2)21-15-19(25-23(29)18-9-10-18)11-12-20(21)24(30)28-14-13-27(3)16-22(28)17-7-5-4-6-8-17/h4-8,11-12,15,18,22H,9-10,13-14,16H2,1-3H3,(H,25,29)
InChIKeyOYIHIAFSOVOLIM-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.23
Rot. Bonds5

About N-[3-(dimethylamino)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide

N-[3-(dimethylamino)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide (PubChem CID 157036333) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[3-(dimethylamino)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide
PubChem CID157036333
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[3-(dimethylamino)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2N(C)C)C(c2ccccc2)C1
InChIInChI=1S/C24H30N4O2/c1-26(2)21-15-19(25-23(29)18-9-10-18)11-12-20(21)24(30)28-14-13-27(3)16-22(28)17-7-5-4-6-8-17/h4-8,11-12,15,18,22H,9-10,13-14,16H2,1-3H3,(H,25,29)
InChIKeyOYIHIAFSOVOLIM-UHFFFAOYSA-N
XLogP3.23
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(dimethylamino)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(dimethylamino)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide (CID 157036333) is N-[3-(dimethylamino)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(dimethylamino)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide is CN1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2N(C)C)C(c2ccccc2)C1.
What is the InChIKey of N-[3-(dimethylamino)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide?
The InChIKey is OYIHIAFSOVOLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-26(2)21-15-19(25-23(29)18-9-10-18)11-12-20(21)24(30)28-14-13-27(3)16-22(28)17-7-5-4-6-8-17/h4-8,11-12,15,18,22H,9-10,13-14,16H2,1-3H3,(H,25,29).
What are the key properties of N-[3-(dimethylamino)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide?
N-[3-(dimethylamino)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 157036333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).