4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide

C19H23ClN4O — CID 21037645

IUPAC4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide
SMILESCCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1
InChIInChI=1S/C19H23ClN4O/c1-2-4-15-6-8-16(9-7-15)22-19(25)24-13-11-23(12-14-24)18-17(20)5-3-10-21-18/h3,5-10H,2,4,11-14H2,1H3,(H,22,25)
InChIKeyPPYLVALIXCRQIP-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.04
Rot. Bonds4

About 4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide

4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide (PubChem CID 21037645) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide
PubChem CID21037645
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide
SMILESCCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1
InChIInChI=1S/C19H23ClN4O/c1-2-4-15-6-8-16(9-7-15)22-19(25)24-13-11-23(12-14-24)18-17(20)5-3-10-21-18/h3,5-10H,2,4,11-14H2,1H3,(H,22,25)
InChIKeyPPYLVALIXCRQIP-UHFFFAOYSA-N
XLogP4.04
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-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

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide (CID 21037645) is 4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide is CCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide?
The InChIKey is PPYLVALIXCRQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-2-4-15-6-8-16(9-7-15)22-19(25)24-13-11-23(12-14-24)18-17(20)5-3-10-21-18/h3,5-10H,2,4,11-14H2,1H3,(H,22,25).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide?
4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-(4-propylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 21037645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).