1-(3-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

C23H26ClN3O — CID 20801048

IUPAC1-(3-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H26ClN3O/c1-16(2)26-12-10-19(11-13-26)25-23(28)22-14-17-6-3-4-9-21(17)27(22)20-8-5-7-18(24)15-20/h3-9,14-16,19H,10-13H2,1-2H3,(H,25,28)
InChIKeyAYWFFTBSKJPXKS-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.89
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

1-(3-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 20801048) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID20801048
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name1-(3-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2-c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H26ClN3O/c1-16(2)26-12-10-19(11-13-26)25-23(28)22-14-17-6-3-4-9-21(17)27(22)20-8-5-7-18(24)15-20/h3-9,14-16,19H,10-13H2,1-2H3,(H,25,28)
InChIKeyAYWFFTBSKJPXKS-UHFFFAOYSA-N
XLogP4.89
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-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

Jnj-7777120
CID 4908365
2-(7-Chloro-5-methyl-4-oxo-3-phenyl-4,5-dihydro-3H-pyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide
CID 9930560
Rhetsinine
CID 99652
CP-320626
CID 444746
Org27569
CID 44828492
N-(3-(benzyl(methyl)amino)propyl)-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
CID 73349008
Ezm-0414
CID 146395245
R-VK4-40
CID 130431314
1-(2-((4-Chlorophenyl)amino)-2-oxoethyl)-N-(1-isopropylpiperidin-4-YL)-1H-indole-2-carboxamide
CID 6540268
N-methyl-N-phenyl-1H-indole-2-carboxamide
CID 821483
2-(piperazin-1-ylcarbonyl)-1H-indole
CID 921599
N-Benzyl-1H-indole-2-carboxamide
CID 8023988

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 20801048) is 1-(3-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is CC(C)N1CCC(NC(=O)c2cc3ccccc3n2-c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is AYWFFTBSKJPXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-16(2)26-12-10-19(11-13-26)25-23(28)22-14-17-6-3-4-9-21(17)27(22)20-8-5-7-18(24)15-20/h3-9,14-16,19H,10-13H2,1-2H3,(H,25,28).
What are the key properties of 1-(3-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
1-(3-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 395.93 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 20801048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).