N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide

C23H26N4O2 — CID 113109787

IUPACN-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCN(CCc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C23H26N4O2/c1-17(28)18-5-4-6-20(15-18)25-23(29)27-13-11-26(12-14-27)10-9-19-16-24-22-8-3-2-7-21(19)22/h2-8,15-16,24H,9-14H2,1H3,(H,25,29)
InChIKeyHMEWZAWXJDYEBT-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.76
Rot. Bonds5

About N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide

N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide (PubChem CID 113109787) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
PubChem CID113109787
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCN(CCc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C23H26N4O2/c1-17(28)18-5-4-6-20(15-18)25-23(29)27-13-11-26(12-14-27)10-9-19-16-24-22-8-3-2-7-21(19)22/h2-8,15-16,24H,9-14H2,1H3,(H,25,29)
InChIKeyHMEWZAWXJDYEBT-UHFFFAOYSA-N
XLogP3.76
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide 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-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109798
N-(2,6-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109766
4-[2-(1H-indol-3-yl)ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113109783
N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397486
N-(2-cyanophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109794
4-[2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106929
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110616503
(3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
CID 41118360
N-phenyl-4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazine-1-carboxamide
CID 53145455
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110412461
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide (CID 113109787) is N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide is CC(=O)c1cccc(NC(=O)N2CCN(CCc3c[nH]c4ccccc34)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is HMEWZAWXJDYEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17(28)18-5-4-6-20(15-18)25-23(29)27-13-11-26(12-14-27)10-9-19-16-24-22-8-3-2-7-21(19)22/h2-8,15-16,24H,9-14H2,1H3,(H,25,29).
What are the key properties of N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide?
N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113109787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).