(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide

C17H21N3O2 — CID 94784044

IUPAC(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2c1C
InChIInChI=1S/C17H21N3O2/c1-10-11(2)19-15-6-5-12(8-14(10)15)17(22)20-7-3-4-13(9-20)16(18)21/h5-6,8,13,19H,3-4,7,9H2,1-2H3,(H2,18,21)/t13-/m1/s1
InChIKeyZHHPLRFULJLZQW-CYBMUJFWSA-N
MW299.37 g/mol
LogP2.12
Rot. Bonds2

About (3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide

(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 94784044) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide
PubChem CID94784044
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2c1C
InChIInChI=1S/C17H21N3O2/c1-10-11(2)19-15-6-5-12(8-14(10)15)17(22)20-7-3-4-13(9-20)16(18)21/h5-6,8,13,19H,3-4,7,9H2,1-2H3,(H2,18,21)/t13-/m1/s1
InChIKeyZHHPLRFULJLZQW-CYBMUJFWSA-N
XLogP2.12
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43430156
(2,3-dimethyl-1H-indol-5-yl)-(4-methylazepan-1-yl)methanone
CID 62046658
(2,3-dimethyl-1H-indol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 42958743
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 52537995
(2,3-dimethyl-1H-indol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680498
(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103536921
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125006215
(2,3-dimethyl-1H-indol-5-yl)-(3-methylpiperazin-1-yl)methanone
CID 65418753
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 125015112
(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone
CID 43397948
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79029189
(2,3-dimethyl-1H-indol-5-yl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106506

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide (CID 94784044) is (3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide is Cc1[nH]c2ccc(C(=O)N3CCC[C@@H](C(N)=O)C3)cc2c1C.
What is the InChIKey of (3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is ZHHPLRFULJLZQW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10-11(2)19-15-6-5-12(8-14(10)15)17(22)20-7-3-4-13(9-20)16(18)21/h5-6,8,13,19H,3-4,7,9H2,1-2H3,(H2,18,21)/t13-/m1/s1.
What are the key properties of (3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide?
(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 94784044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).