[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone

C19H23ClN4O — CID 109223025

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1cncc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H23ClN4O/c1-2-6-22-17-11-15(13-21-14-17)19(25)24-9-7-23(8-10-24)18-5-3-4-16(20)12-18/h3-5,11-14,22H,2,6-10H2,1H3
InChIKeyVNTSLIQRIMZLRY-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.52
Rot. Bonds5

About [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone (PubChem CID 109223025) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone
PubChem CID109223025
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1cncc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C19H23ClN4O/c1-2-6-22-17-11-15(13-21-14-17)19(25)24-9-7-23(8-10-24)18-5-3-4-16(20)12-18/h3-5,11-14,22H,2,6-10H2,1H3
InChIKeyVNTSLIQRIMZLRY-UHFFFAOYSA-N
XLogP3.52
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone 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

[5-(butylamino)-3-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109224597
[4-(3-methylphenyl)piperazin-1-yl]-[5-(pentylamino)-3-pyridinyl]methanone
CID 109238400
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propan-2-ylamino)-3-pyridinyl]methanone
CID 109223421
[4-(3-chlorophenyl)piperazin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 110854505
[5-(3-methoxypropylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109228225
[5-(tert-butylamino)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237510
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[4-(3-chlorophenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 35295381
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 96588883
[6-(butan-2-ylamino)-3-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109151978
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(2-methoxyethylamino)pyrimidin-5-yl]methanone
CID 109251539

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone (CID 109223025) is [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone is CCCNc1cncc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone?
The InChIKey is VNTSLIQRIMZLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-2-6-22-17-11-15(13-21-14-17)19(25)24-9-7-23(8-10-24)18-5-3-4-16(20)12-18/h3-5,11-14,22H,2,6-10H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone has a molecular weight of 358.87 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[5-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 109223025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).