3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide

C14H16ClN3O — CID 18453185

IUPAC3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C14H16ClN3O/c15-12-8-17-13-7-9(1-2-11(12)13)14(19)18-10-3-5-16-6-4-10/h1-2,7-8,10,16-17H,3-6H2,(H,18,19)
InChIKeyASNYGFWSXGIKCO-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.30
Rot. Bonds2

About 3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide

3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide (PubChem CID 18453185) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide.

Molecular Properties

Compound Name3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide
PubChem CID18453185
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide
SMILESO=C(NC1CCNCC1)c1ccc2c(Cl)c[nH]c2c1
InChIInChI=1S/C14H16ClN3O/c15-12-8-17-13-7-9(1-2-11(12)13)14(19)18-10-3-5-16-6-4-10/h1-2,7-8,10,16-17H,3-6H2,(H,18,19)
InChIKeyASNYGFWSXGIKCO-UHFFFAOYSA-N
XLogP2.30
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(azepan-4-yl)-4-chloro-3-fluorobenzamide
CID 107990996
3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide
CID 11598427
3-chloro-N-[(1R)-1-phenyl-2-(2-piperidin-4-ylethoxy)ethyl]-1H-indole-6-carboxamide
CID 69309605
3-chloro-4-iodo-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 103209637
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
3-chloro-N-[(1R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 58896263
N-piperidin-4-yl-4-sulfanylbenzamide
CID 107023949
3-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide
CID 11641494
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
N-piperidin-4-yl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 110489063
3,5-dichloro-N-[4-(piperidin-4-ylcarbamoyl)phenyl]benzamide
CID 119386610
4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389286

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide?
The IUPAC name of 3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide (CID 18453185) is 3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide.
What is the SMILES notation for 3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide?
The canonical SMILES for 3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide is O=C(NC1CCNCC1)c1ccc2c(Cl)c[nH]c2c1.
What is the InChIKey of 3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide?
The InChIKey is ASNYGFWSXGIKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-12-8-17-13-7-9(1-2-11(12)13)14(19)18-10-3-5-16-6-4-10/h1-2,7-8,10,16-17H,3-6H2,(H,18,19).
What are the key properties of 3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide?
3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-piperidin-4-yl-1H-indole-6-carboxamide is sourced from PubChem (CID 18453185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).