3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide

C20H24ClN3O2 — CID 10761912

IUPAC3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H24ClN3O2/c1-26-19-4-2-3-17(15-19)22-20(25)9-10-23-11-13-24(14-12-23)18-7-5-16(21)6-8-18/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyLDXQQYQLOMGASY-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.50
Rot. Bonds6

About 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide

3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide (PubChem CID 10761912) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
PubChem CID10761912
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C20H24ClN3O2/c1-26-19-4-2-3-17(15-19)22-20(25)9-10-23-11-13-24(14-12-23)18-7-5-16(21)6-8-18/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyLDXQQYQLOMGASY-UHFFFAOYSA-N
XLogP3.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Chlorophenyl)-4-(6-(4-(3-methoxyphenyl)piperazin-1-yl)hexyl)piperazine
CID 11648483
N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}acetamide
CID 16656789
N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}butanamide
CID 24750071
N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750077
N-{4-[(3-Methoxy-phenyl)-methyl-amino]-phenyl}-propionamide
CID 44264892
N-[(3S)-1-(4-chloro-3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53319608
N-(3,5-dimethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 719567
N-(3,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 882001
N-(3-Methoxy-phenyl)-3-morpholin-4-yl-propionamide
CID 24747003
N-(3,5-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 645625
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 861149
N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149662

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide (CID 10761912) is 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCN2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide?
The InChIKey is LDXQQYQLOMGASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-26-19-4-2-3-17(15-19)22-20(25)9-10-23-11-13-24(14-12-23)18-7-5-16(21)6-8-18/h2-8,15H,9-14H2,1H3,(H,22,25).
What are the key properties of 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide?
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide has a molecular weight of 373.88 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 10761912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).