N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide

C20H21ClN4O — CID 110397486

IUPACN-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H21ClN4O/c21-16-4-3-5-17(12-16)23-20(26)25-10-8-24(9-11-25)14-15-13-22-19-7-2-1-6-18(15)19/h1-7,12-13,22H,8-11,14H2,(H,23,26)
InChIKeyHZOOVNFIPFPHOW-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.17
Rot. Bonds3

About N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide

N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 110397486) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
PubChem CID110397486
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC NameN-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H21ClN4O/c21-16-4-3-5-17(12-16)23-20(26)25-10-8-24(9-11-25)14-15-13-22-19-7-2-1-6-18(15)19/h1-7,12-13,22H,8-11,14H2,(H,23,26)
InChIKeyHZOOVNFIPFPHOW-UHFFFAOYSA-N
XLogP4.17
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)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-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397485
N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109787
N-(3-chlorophenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17468033
N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109798
N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110616503
N-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113007151
4-[(2-chlorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113107720
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 19323530
N-(3-chlorophenyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 22195134
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide
CID 7595794
4-(1,3-benzodioxol-5-ylmethyl)-N-(3-chlorophenyl)piperazine-1-carboxamide
CID 1079402

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide (CID 110397486) is N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCN(Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is HZOOVNFIPFPHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c21-16-4-3-5-17(12-16)23-20(26)25-10-8-24(9-11-25)14-15-13-22-19-7-2-1-6-18(15)19/h1-7,12-13,22H,8-11,14H2,(H,23,26).
What are the key properties of N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 368.87 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 110397486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).