4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide

C15H18ClN3O — CID 145106745

IUPAC4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide
SMILESNC(=O)c1cn(CC2CCCNC2)c2cccc(Cl)c12
InChIInChI=1S/C15H18ClN3O/c16-12-4-1-5-13-14(12)11(15(17)20)9-19(13)8-10-3-2-6-18-7-10/h1,4-5,9-10,18H,2-3,6-8H2,(H2,17,20)
InChIKeyQVFJKPAJTPWPND-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.39
Rot. Bonds3

About 4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide

4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide (PubChem CID 145106745) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide
PubChem CID145106745
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide
SMILESNC(=O)c1cn(CC2CCCNC2)c2cccc(Cl)c12
InChIInChI=1S/C15H18ClN3O/c16-12-4-1-5-13-14(12)11(15(17)20)9-19(13)8-10-3-2-6-18-7-10/h1,4-5,9-10,18H,2-3,6-8H2,(H2,17,20)
InChIKeyQVFJKPAJTPWPND-UHFFFAOYSA-N
XLogP2.39
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-1-(piperidin-3-ylmethyl)indole-3-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

5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117263607
4-chloro-1-(oxolan-2-ylmethyl)indole-3-carboxylic acid
CID 121393283
(2,3-dichlorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930219
2-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 154457528
(3R)-N-[(1-benzyl-4-chloroindol-3-yl)methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 70953010
ethyl 6-iodo-4-oxo-1-[[(3R)-piperidin-3-yl]methyl]quinoline-3-carboxylate
CID 59415796
2-chloro-4-(piperidin-3-ylmethoxy)benzamide
CID 62944251
1-[6-chloro-1-(pyrrolidin-3-ylmethyl)indol-3-yl]ethanone
CID 143390978
[6-chloro-1-[[(3S)-piperidin-3-yl]methyl]indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 59657538
5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 144977687
N-(2,3-dichlorophenyl)-2-piperidin-3-ylacetamide
CID 62675229
(5R)-5-[[4-chloro-3-[3-(4,4-difluorocyclohexyl)propanoyl]indol-1-yl]methyl]pyrrolidin-2-one
CID 146747545

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide?
The IUPAC name of 4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide (CID 145106745) is 4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide?
The canonical SMILES for 4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide is NC(=O)c1cn(CC2CCCNC2)c2cccc(Cl)c12.
What is the InChIKey of 4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide?
The InChIKey is QVFJKPAJTPWPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-12-4-1-5-13-14(12)11(15(17)20)9-19(13)8-10-3-2-6-18-7-10/h1,4-5,9-10,18H,2-3,6-8H2,(H2,17,20).
What are the key properties of 4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide?
4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide is sourced from PubChem (CID 145106745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).