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

C25H29ClN4O2 — CID 157036130

IUPACN-[4-[2-(4-chlorophenyl)piperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCNCC2c2ccc(Cl)cc2)c(N2CCCC2)c1)C1CC1
InChIInChI=1S/C25H29ClN4O2/c26-19-7-5-17(6-8-19)23-16-27-11-14-30(23)25(32)21-10-9-20(28-24(31)18-3-4-18)15-22(21)29-12-1-2-13-29/h5-10,15,18,23,27H,1-4,11-14,16H2,(H,28,31)
InChIKeyJQIBMVPWTIIQSR-UHFFFAOYSA-N
MW452.99 g/mol
LogP4.08
Rot. Bonds5

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

N-[4-[2-(4-chlorophenyl)piperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide (PubChem CID 157036130) has the molecular formula C25H29ClN4O2 and a molecular weight of 452.99 g/mol. Its IUPAC name is N-[4-[2-(4-chlorophenyl)piperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-chlorophenyl)piperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
PubChem CID157036130
Molecular FormulaC25H29ClN4O2
Molecular Weight452.99 g/mol
Exact Mass452.20
IUPAC NameN-[4-[2-(4-chlorophenyl)piperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCNCC2c2ccc(Cl)cc2)c(N2CCCC2)c1)C1CC1
InChIInChI=1S/C25H29ClN4O2/c26-19-7-5-17(6-8-19)23-16-27-11-14-30(23)25(32)21-10-9-20(28-24(31)18-3-4-18)15-22(21)29-12-1-2-13-29/h5-10,15,18,23,27H,1-4,11-14,16H2,(H,28,31)
InChIKeyJQIBMVPWTIIQSR-UHFFFAOYSA-N
XLogP4.08
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.99
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chlorophenyl)piperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(4-chlorophenyl)piperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide (CID 157036130) is N-[4-[2-(4-chlorophenyl)piperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(4-chlorophenyl)piperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(4-chlorophenyl)piperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide is O=C(Nc1ccc(C(=O)N2CCNCC2c2ccc(Cl)cc2)c(N2CCCC2)c1)C1CC1.
What is the InChIKey of N-[4-[2-(4-chlorophenyl)piperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide?
The InChIKey is JQIBMVPWTIIQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O2/c26-19-7-5-17(6-8-19)23-16-27-11-14-30(23)25(32)21-10-9-20(28-24(31)18-3-4-18)15-22(21)29-12-1-2-13-29/h5-10,15,18,23,27H,1-4,11-14,16H2,(H,28,31).
What are the key properties of N-[4-[2-(4-chlorophenyl)piperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide?
N-[4-[2-(4-chlorophenyl)piperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide has a molecular weight of 452.99 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chlorophenyl)piperazine-1-carbonyl]-3-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 157036130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).