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

C24H32ClN3O — CID 55662231

IUPAC3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)CCc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C24H32ClN3O/c1-20-6-4-9-23(18-20)28-16-14-27(15-17-28)13-3-2-12-26-24(29)11-10-21-7-5-8-22(25)19-21/h4-9,18-19H,2-3,10-17H2,1H3,(H,26,29)
InChIKeyOIZICXNRORZZBD-UHFFFAOYSA-N
MW413.99 g/mol
LogP4.30
Rot. Bonds9

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

3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide (PubChem CID 55662231) has the molecular formula C24H32ClN3O and a molecular weight of 413.99 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
PubChem CID55662231
Molecular FormulaC24H32ClN3O
Molecular Weight413.99 g/mol
Exact Mass413.22
IUPAC Name3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)CCc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C24H32ClN3O/c1-20-6-4-9-23(18-20)28-16-14-27(15-17-28)13-3-2-12-26-24(29)11-10-21-7-5-8-22(25)19-21/h4-9,18-19H,2-3,10-17H2,1H3,(H,26,29)
InChIKeyOIZICXNRORZZBD-UHFFFAOYSA-N
XLogP4.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.99
LogP ≤ 54.30
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-(3-methoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 34251751
3-(3-methylphenyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]propanamide
CID 71942240
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-3-thiophen-3-ylpropanamide
CID 38440769
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-methoxyacetamide
CID 56783071
4-(2,5-dimethylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxobutanamide
CID 46448458
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 122176670
2-methyl-N-[3-[4-[4-(3-methylphenyl)piperazin-1-yl]butylamino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 55662153
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
3-(3-methylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide
CID 55662778
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide (CID 55662231) is 3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide is Cc1cccc(N2CCN(CCCCNC(=O)CCc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide?
The InChIKey is OIZICXNRORZZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O/c1-20-6-4-9-23(18-20)28-16-14-27(15-17-28)13-3-2-12-26-24(29)11-10-21-7-5-8-22(25)19-21/h4-9,18-19H,2-3,10-17H2,1H3,(H,26,29).
What are the key properties of 3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide?
3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide has a molecular weight of 413.99 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide is sourced from PubChem (CID 55662231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).