2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide

C17H23N3O — CID 92604271

IUPAC2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide
SMILESCc1[nH]c2cccc(C(=O)N[C@H]3CCCN(C)C3)c2c1C
InChIInChI=1S/C17H23N3O/c1-11-12(2)18-15-8-4-7-14(16(11)15)17(21)19-13-6-5-9-20(3)10-13/h4,7-8,13,18H,5-6,9-10H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyXYNIXGMAKLFSDQ-ZDUSSCGKSA-N
MW285.39 g/mol
LogP2.61
Rot. Bonds2

About 2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide

2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide (PubChem CID 92604271) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide
PubChem CID92604271
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide
SMILESCc1[nH]c2cccc(C(=O)N[C@H]3CCCN(C)C3)c2c1C
InChIInChI=1S/C17H23N3O/c1-11-12(2)18-15-8-4-7-14(16(11)15)17(21)19-13-6-5-9-20(3)10-13/h4,7-8,13,18H,5-6,9-10H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyXYNIXGMAKLFSDQ-ZDUSSCGKSA-N
XLogP2.61
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376
2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide
CID 61376709
N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 61212193
2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 62948908
3-chloro-2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 96583038
6-methyl-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
CID 47344489
2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 80710472
4-fluoro-2-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 112702652
3-chloro-N-(1-methylpiperidin-3-yl)benzamide
CID 77452165
5-amino-2,4-dimethyl-N-(1-methylpiperidin-3-yl)benzamide
CID 102705323
2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949890
1-(2,3-dimethyl-1H-indol-4-yl)-N-methylpiperidin-3-amine
CID 151199969

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide (CID 92604271) is 2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide is Cc1[nH]c2cccc(C(=O)N[C@H]3CCCN(C)C3)c2c1C.
What is the InChIKey of 2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide?
The InChIKey is XYNIXGMAKLFSDQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-12(2)18-15-8-4-7-14(16(11)15)17(21)19-13-6-5-9-20(3)10-13/h4,7-8,13,18H,5-6,9-10H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide?
2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(3S)-1-methylpiperidin-3-yl]-1H-indole-4-carboxamide is sourced from PubChem (CID 92604271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).