4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide

C23H30ClN3O — CID 55778311

IUPAC4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
SMILESO=C(CCCc1ccc(Cl)cc1)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30ClN3O/c24-21-12-10-20(11-13-21)6-4-9-23(28)25-14-5-15-26-16-18-27(19-17-26)22-7-2-1-3-8-22/h1-3,7-8,10-13H,4-6,9,14-19H2,(H,25,28)
InChIKeyRTZCINXUWCZELL-UHFFFAOYSA-N
MW399.97 g/mol
LogP3.99
Rot. Bonds9

About 4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide

4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide (PubChem CID 55778311) has the molecular formula C23H30ClN3O and a molecular weight of 399.97 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
PubChem CID55778311
Molecular FormulaC23H30ClN3O
Molecular Weight399.97 g/mol
Exact Mass399.21
IUPAC Name4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
SMILESO=C(CCCc1ccc(Cl)cc1)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H30ClN3O/c24-21-12-10-20(11-13-21)6-4-9-23(28)25-14-5-15-26-16-18-27(19-17-26)22-7-2-1-3-8-22/h1-3,7-8,10-13H,4-6,9,14-19H2,(H,25,28)
InChIKeyRTZCINXUWCZELL-UHFFFAOYSA-N
XLogP3.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.97
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
2-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 42266128
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430326
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 94549604
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949
2,5-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224466
2-(4-butylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 38809706
3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
CID 110443247
N-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109025748
4-amino-N-[3-(4-benzylpiperazin-1-yl)propyl]butanamide;trihydrochloride
CID 119902006

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide (CID 55778311) is 4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide is O=C(CCCc1ccc(Cl)cc1)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide?
The InChIKey is RTZCINXUWCZELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O/c24-21-12-10-20(11-13-21)6-4-9-23(28)25-14-5-15-26-16-18-27(19-17-26)22-7-2-1-3-8-22/h1-3,7-8,10-13H,4-6,9,14-19H2,(H,25,28).
What are the key properties of 4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide?
4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide has a molecular weight of 399.97 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide is sourced from PubChem (CID 55778311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).