4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide

C14H15Cl2N3O — CID 44555588

IUPAC4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@H]1CCCNC1)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C14H15Cl2N3O/c15-8-4-11(16)10-6-13(19-12(10)5-8)14(20)18-9-2-1-3-17-7-9/h4-6,9,17,19H,1-3,7H2,(H,18,20)/t9-/m1/s1
InChIKeyGHOALDKZWGGXCM-SECBINFHSA-N
MW312.20 g/mol
LogP2.96
Rot. Bonds2

About 4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide

4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 44555588) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide
PubChem CID44555588
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@@H]1CCCNC1)c1cc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C14H15Cl2N3O/c15-8-4-11(16)10-6-13(19-12(10)5-8)14(20)18-9-2-1-3-17-7-9/h4-6,9,17,19H,1-3,7H2,(H,18,20)/t9-/m1/s1
InChIKeyGHOALDKZWGGXCM-SECBINFHSA-N
XLogP2.96
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-piperidin-3-yl-1H-indole-2-carboxamide
CID 68708484
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
3-chloro-4-iodo-N-[(3S)-piperidin-3-yl]benzamide
CID 103866566
3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide
CID 119424765
4-methyl-N-[(3R)-pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44555586
4-methyl-N-pyrrolidin-3-yl-1H-indole-2-carboxamide
CID 68710712
2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428069
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(4,6-dichloro-1H-indol-2-yl)methanone
CID 122650225
4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide
CID 82771489
4,6-dichloro-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-2-carboxamide
CID 155545377
N-(azepan-4-yl)-4-chloro-1H-pyrrole-2-carboxamide
CID 105060146

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide (CID 44555588) is 4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide is O=C(N[C@@H]1CCCNC1)c1cc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is GHOALDKZWGGXCM-SECBINFHSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c15-8-4-11(16)10-6-13(19-12(10)5-8)14(20)18-9-2-1-3-17-7-9/h4-6,9,17,19H,1-3,7H2,(H,18,20)/t9-/m1/s1.
What are the key properties of 4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide?
4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 312.20 g/mol, XLogP of 2.96, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 44555588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).