3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)propanamide

C20H24ClN3O — CID 655938

IUPAC3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O/c21-18-7-4-8-19(15-18)22-20(25)9-10-23-11-13-24(14-12-23)16-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2,(H,22,25)
InChIKeyKDQZAASXGPCWIW-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.49
Rot. Bonds6

About 3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)propanamide

3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)propanamide (PubChem CID 655938) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)propanamide
PubChem CID655938
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)propanamide
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O/c21-18-7-4-8-19(15-18)22-20(25)9-10-23-11-13-24(14-12-23)16-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2,(H,22,25)
InChIKeyKDQZAASXGPCWIW-UHFFFAOYSA-N
XLogP3.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10003548
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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)propanamide?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)propanamide (CID 655938) is 3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)propanamide is O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1cccc(Cl)c1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)propanamide?
The InChIKey is KDQZAASXGPCWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c21-18-7-4-8-19(15-18)22-20(25)9-10-23-11-13-24(14-12-23)16-17-5-2-1-3-6-17/h1-8,15H,9-14,16H2,(H,22,25).
What are the key properties of 3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)propanamide?
3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)propanamide has a molecular weight of 357.89 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 655938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).