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

C19H22ClN3O — CID 687128

IUPACN-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O/c20-16-6-8-17(9-7-16)21-19(24)10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,21,24)
InChIKeyMMBVNSGWEOBIAM-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.49
Rot. Bonds5

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

N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 687128) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID687128
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O/c20-16-6-8-17(9-7-16)21-19(24)10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,21,24)
InChIKeyMMBVNSGWEOBIAM-UHFFFAOYSA-N
XLogP3.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide (CID 687128) is N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide is O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is MMBVNSGWEOBIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-16-6-8-17(9-7-16)21-19(24)10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18/h1-9H,10-15H2,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 343.86 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 687128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).