N-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-phenylpyrrol-1-yl]phenyl]-5-phenylpentanamide

C39H40N4O2 — CID 59324639

IUPACN-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-phenylpyrrol-1-yl]phenyl]-5-phenylpentanamide
SMILESO=C(CCCCc1ccccc1)Nc1ccc(-n2ccc(C(=O)N3CCNCC3Cc3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C39H40N4O2/c44-37(19-11-10-14-30-12-4-1-5-13-30)41-33-20-22-34(23-21-33)42-26-24-36(38(42)32-17-8-3-9-18-32)39(45)43-27-25-40-29-35(43)28-31-15-6-2-7-16-31/h1-9,12-13,15-18,20-24,26,35,40H,10-11,14,19,25,27-29H2,(H,41,44)
InChIKeyXSTRRFDCSASVOK-UHFFFAOYSA-N
MW596.78 g/mol
LogP7.15
Rot. Bonds11

About N-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-phenylpyrrol-1-yl]phenyl]-5-phenylpentanamide

N-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-phenylpyrrol-1-yl]phenyl]-5-phenylpentanamide (PubChem CID 59324639) has the molecular formula C39H40N4O2 and a molecular weight of 596.78 g/mol. Its IUPAC name is N-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-phenylpyrrol-1-yl]phenyl]-5-phenylpentanamide.

Molecular Properties

Compound NameN-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-phenylpyrrol-1-yl]phenyl]-5-phenylpentanamide
PubChem CID59324639
Molecular FormulaC39H40N4O2
Molecular Weight596.78 g/mol
Exact Mass596.32
IUPAC NameN-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-phenylpyrrol-1-yl]phenyl]-5-phenylpentanamide
SMILESO=C(CCCCc1ccccc1)Nc1ccc(-n2ccc(C(=O)N3CCNCC3Cc3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C39H40N4O2/c44-37(19-11-10-14-30-12-4-1-5-13-30)41-33-20-22-34(23-21-33)42-26-24-36(38(42)32-17-8-3-9-18-32)39(45)43-27-25-40-29-35(43)28-31-15-6-2-7-16-31/h1-9,12-13,15-18,20-24,26,35,40H,10-11,14,19,25,27-29H2,(H,41,44)
InChIKeyXSTRRFDCSASVOK-UHFFFAOYSA-N
XLogP7.15
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.78
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-phenylpyrrol-1-yl]phenyl]-5-phenylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-methylpyrrol-1-yl]phenyl]-5-phenylpentanamide;hydrochloride
CID 68663826
[(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 151542372
[(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone
CID 25265687
[(2R)-2-benzylpiperazin-1-yl]-(5-methyl-1,2-diphenylpyrrol-3-yl)methanone
CID 59324752
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
prop-2-enyl 2-benzylpiperazine-1-carboxylate
CID 82245927
3-benzyl-4-[1-[2-[(5-ethoxy-5-oxopentanoyl)amino]phenyl]-2-phenylpyrrole-3-carbonyl]piperazine-1-carboxylic acid
CID 68664857
5-[(2R)-2-benzylpiperazine-1-carbonyl]-3-(2-hydroxycyclohexyl)-4-phenyl-1H-imidazol-2-one
CID 68662785
[(2R)-2-benzylpiperazin-1-yl]-[1-[(1R,2S)-2-hydroxycycloheptyl]-5-phenylimidazol-4-yl]methanone;hydrochloride
CID 68991399
[(2R)-2-benzylpiperazin-1-yl]-(3,4-diphenylthiophen-2-yl)methanone
CID 59325062
[(2R)-2-benzylpiperazin-1-yl]-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-phenylimidazol-4-yl]methanone
CID 25134176
[(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone
CID 25265689

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-phenylpyrrol-1-yl]phenyl]-5-phenylpentanamide?
The IUPAC name of N-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-phenylpyrrol-1-yl]phenyl]-5-phenylpentanamide (CID 59324639) is N-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-phenylpyrrol-1-yl]phenyl]-5-phenylpentanamide.
What is the SMILES notation for N-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-phenylpyrrol-1-yl]phenyl]-5-phenylpentanamide?
The canonical SMILES for N-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-phenylpyrrol-1-yl]phenyl]-5-phenylpentanamide is O=C(CCCCc1ccccc1)Nc1ccc(-n2ccc(C(=O)N3CCNCC3Cc3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-phenylpyrrol-1-yl]phenyl]-5-phenylpentanamide?
The InChIKey is XSTRRFDCSASVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40N4O2/c44-37(19-11-10-14-30-12-4-1-5-13-30)41-33-20-22-34(23-21-33)42-26-24-36(38(42)32-17-8-3-9-18-32)39(45)43-27-25-40-29-35(43)28-31-15-6-2-7-16-31/h1-9,12-13,15-18,20-24,26,35,40H,10-11,14,19,25,27-29H2,(H,41,44).
What are the key properties of N-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-phenylpyrrol-1-yl]phenyl]-5-phenylpentanamide?
N-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-phenylpyrrol-1-yl]phenyl]-5-phenylpentanamide has a molecular weight of 596.78 g/mol, XLogP of 7.15, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-benzylpiperazine-1-carbonyl)-2-phenylpyrrol-1-yl]phenyl]-5-phenylpentanamide is sourced from PubChem (CID 59324639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).