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

C25H35N3O — CID 42959856

IUPACN-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)CC(C)c3ccccc3)CC2)c1
InChIInChI=1S/C25H35N3O/c1-21-9-8-12-24(19-21)28-17-15-27(16-18-28)14-7-6-13-26-25(29)20-22(2)23-10-4-3-5-11-23/h3-5,8-12,19,22H,6-7,13-18,20H2,1-2H3,(H,26,29)
InChIKeyJCNOXVZWWTYVHV-UHFFFAOYSA-N
MW393.58 g/mol
LogP4.21
Rot. Bonds9

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

N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide (PubChem CID 42959856) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide
PubChem CID42959856
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC NameN-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)CC(C)c3ccccc3)CC2)c1
InChIInChI=1S/C25H35N3O/c1-21-9-8-12-24(19-21)28-17-15-27(16-18-28)14-7-6-13-26-25(29)20-22(2)23-10-4-3-5-11-23/h3-5,8-12,19,22H,6-7,13-18,20H2,1-2H3,(H,26,29)
InChIKeyJCNOXVZWWTYVHV-UHFFFAOYSA-N
XLogP4.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 54.21
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-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
CID 52691963
4-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60851356
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55842150
2-fluoro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 39306024
4-(2,5-dimethylphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-4-oxobutanamide
CID 46448458
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide
CID 39303950
2-(4-chlorophenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 38440949
3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662231
2-methyl-N-[3-[4-[4-(3-methylphenyl)piperazin-1-yl]butylamino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 55662153
2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide
CID 34246704
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55826376

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide?
The IUPAC name of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide (CID 42959856) is N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide.
What is the SMILES notation for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide?
The canonical SMILES for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide is Cc1cccc(N2CCN(CCCCNC(=O)CC(C)c3ccccc3)CC2)c1.
What is the InChIKey of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide?
The InChIKey is JCNOXVZWWTYVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-21-9-8-12-24(19-21)28-17-15-27(16-18-28)14-7-6-13-26-25(29)20-22(2)23-10-4-3-5-11-23/h3-5,8-12,19,22H,6-7,13-18,20H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide?
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide has a molecular weight of 393.58 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide is sourced from PubChem (CID 42959856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).