N-[4-[2-(2-chlorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide

C26H31ClN4O2 — CID 157036257

IUPACN-[4-[2-(2-chlorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2N2CCCC2)C(c2ccccc2Cl)C1
InChIInChI=1S/C26H31ClN4O2/c1-29-14-15-31(24(17-29)20-6-2-3-7-22(20)27)26(33)21-11-10-19(28-25(32)18-8-9-18)16-23(21)30-12-4-5-13-30/h2-3,6-7,10-11,16,18,24H,4-5,8-9,12-15,17H2,1H3,(H,28,32)
InChIKeyBUIXHTQHOCEPET-UHFFFAOYSA-N
MW467.01 g/mol
LogP4.42
Rot. Bonds5

About N-[4-[2-(2-chlorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide

N-[4-[2-(2-chlorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide (PubChem CID 157036257) has the molecular formula C26H31ClN4O2 and a molecular weight of 467.01 g/mol. Its IUPAC name is N-[4-[2-(2-chlorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-chlorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
PubChem CID157036257
Molecular FormulaC26H31ClN4O2
Molecular Weight467.01 g/mol
Exact Mass466.21
IUPAC NameN-[4-[2-(2-chlorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2N2CCCC2)C(c2ccccc2Cl)C1
InChIInChI=1S/C26H31ClN4O2/c1-29-14-15-31(24(17-29)20-6-2-3-7-22(20)27)26(33)21-11-10-19(28-25(32)18-8-9-18)16-23(21)30-12-4-5-13-30/h2-3,6-7,10-11,16,18,24H,4-5,8-9,12-15,17H2,1H3,(H,28,32)
InChIKeyBUIXHTQHOCEPET-UHFFFAOYSA-N
XLogP4.42
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.01
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(2-chlorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]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-[4-[2-(2-chlorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(2-chlorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide (CID 157036257) is N-[4-[2-(2-chlorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(2-chlorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(2-chlorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide is CN1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2N2CCCC2)C(c2ccccc2Cl)C1.
What is the InChIKey of N-[4-[2-(2-chlorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide?
The InChIKey is BUIXHTQHOCEPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O2/c1-29-14-15-31(24(17-29)20-6-2-3-7-22(20)27)26(33)21-11-10-19(28-25(32)18-8-9-18)16-23(21)30-12-4-5-13-30/h2-3,6-7,10-11,16,18,24H,4-5,8-9,12-15,17H2,1H3,(H,28,32).
What are the key properties of N-[4-[2-(2-chlorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide?
N-[4-[2-(2-chlorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide has a molecular weight of 467.01 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-chlorophenyl)-4-methylpiperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 157036257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).