N-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide

C19H19ClN4O — CID 2802665

IUPACN-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H19ClN4O/c20-14-4-6-15(7-5-14)22-19(25)24-12-10-23(11-13-24)18-3-1-2-17-16(18)8-9-21-17/h1-9,21H,10-13H2,(H,22,25)
InChIKeyVVVZKBOSNCHQEJ-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.18
Rot. Bonds2

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

N-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide (PubChem CID 2802665) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide
PubChem CID2802665
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC NameN-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCN(c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C19H19ClN4O/c20-14-4-6-15(7-5-14)22-19(25)24-12-10-23(11-13-24)18-3-1-2-17-16(18)8-9-21-17/h1-9,21H,10-13H2,(H,22,25)
InChIKeyVVVZKBOSNCHQEJ-UHFFFAOYSA-N
XLogP4.18
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-chlorophenyl)-4-(1H-indol-4-yl)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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide (CID 2802665) is N-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCN(c2cccc3[nH]ccc23)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide?
The InChIKey is VVVZKBOSNCHQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-14-4-6-15(7-5-14)22-19(25)24-12-10-23(11-13-24)18-3-1-2-17-16(18)8-9-21-17/h1-9,21H,10-13H2,(H,22,25).
What are the key properties of N-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(1H-indol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 2802665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).