3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide

C29H35N3O — CID 52691963

IUPAC3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C29H35N3O/c33-29(24-28(25-12-4-1-5-13-25)26-14-6-2-7-15-26)30-18-10-11-19-31-20-22-32(23-21-31)27-16-8-3-9-17-27/h1-9,12-17,28H,10-11,18-24H2,(H,30,33)
InChIKeyCROJPDBLKNNBGG-UHFFFAOYSA-N
MW441.62 g/mol
LogP4.93
Rot. Bonds10

About 3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide

3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide (PubChem CID 52691963) has the molecular formula C29H35N3O and a molecular weight of 441.62 g/mol. Its IUPAC name is 3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide.

Molecular Properties

Compound Name3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
PubChem CID52691963
Molecular FormulaC29H35N3O
Molecular Weight441.62 g/mol
Exact Mass441.28
IUPAC Name3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C29H35N3O/c33-29(24-28(25-12-4-1-5-13-25)26-14-6-2-7-15-26)30-18-10-11-19-31-20-22-32(23-21-31)27-16-8-3-9-17-27/h1-9,12-17,28H,10-11,18-24H2,(H,30,33)
InChIKeyCROJPDBLKNNBGG-UHFFFAOYSA-N
XLogP4.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 54.93
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

N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-phenylbutanamide
CID 42959856
(2S)-2-amino-3,3-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]butanamide
CID 119902156
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224470
N-[3-(4-phenylpiperazin-1-yl)propyl]-2-propan-2-ylsulfonylpropanamide
CID 55965939
2-naphthalen-2-yl-N-[4-(4-phenylpiperazin-1-yl)butyl]acetamide
CID 55861372
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
(2S)-2-amino-3,3-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 119901943
2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901944
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,3-diphenylpropanamide
CID 42175427
3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide
CID 119953878
N-[3-oxo-3-[4-(4-phenylpiperazin-1-yl)butylamino]propyl]cyclohexanecarboxamide
CID 86878613
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide?
The IUPAC name of 3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide (CID 52691963) is 3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide.
What is the SMILES notation for 3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide?
The canonical SMILES for 3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide is O=C(CC(c1ccccc1)c1ccccc1)NCCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide?
The InChIKey is CROJPDBLKNNBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O/c33-29(24-28(25-12-4-1-5-13-25)26-14-6-2-7-15-26)30-18-10-11-19-31-20-22-32(23-21-31)27-16-8-3-9-17-27/h1-9,12-17,28H,10-11,18-24H2,(H,30,33).
What are the key properties of 3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide?
3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide has a molecular weight of 441.62 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide is sourced from PubChem (CID 52691963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).