4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide

C27H26N4O2 — CID 86969115

IUPAC4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)c3cn(Cc4ccccc4)c4ccccc34)CC2)cc1
InChIInChI=1S/C27H26N4O2/c28-26(32)21-10-12-22(13-11-21)29-14-16-30(17-15-29)27(33)24-19-31(18-20-6-2-1-3-7-20)25-9-5-4-8-23(24)25/h1-13,19H,14-18H2,(H2,28,32)
InChIKeyAZKKWIFGNYSSNB-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.75
Rot. Bonds5

About 4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide

4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide (PubChem CID 86969115) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide
PubChem CID86969115
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)c3cn(Cc4ccccc4)c4ccccc34)CC2)cc1
InChIInChI=1S/C27H26N4O2/c28-26(32)21-10-12-22(13-11-21)29-14-16-30(17-15-29)27(33)24-19-31(18-20-6-2-1-3-7-20)25-9-5-4-8-23(24)25/h1-13,19H,14-18H2,(H2,28,32)
InChIKeyAZKKWIFGNYSSNB-UHFFFAOYSA-N
XLogP3.75
TPSA71.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide 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

(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883917
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone
CID 166240989
4-[4-(1-benzyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]benzamide
CID 86969204
2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid
CID 119177873
1-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55678779
3-acetyl-1-benzylindole-5-carboxamide
CID 22382729
(1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 30662185
(3R,4R)-1-(1-benzylindole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979581
1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113207871
(1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 18711813
1-[(4-bromophenyl)methyl]indole-3-carboxamide
CID 91690104

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide (CID 86969115) is 4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide is NC(=O)c1ccc(N2CCN(C(=O)c3cn(Cc4ccccc4)c4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide?
The InChIKey is AZKKWIFGNYSSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c28-26(32)21-10-12-22(13-11-21)29-14-16-30(17-15-29)27(33)24-19-31(18-20-6-2-1-3-7-20)25-9-5-4-8-23(24)25/h1-13,19H,14-18H2,(H2,28,32).
What are the key properties of 4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide?
4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide has a molecular weight of 438.53 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 86969115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).