1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxamide

C17H21N3O2 — CID 4784849

IUPAC1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2c1C
InChIInChI=1S/C17H21N3O2/c1-10-11(2)19-15-4-3-13(9-14(10)15)17(22)20-7-5-12(6-8-20)16(18)21/h3-4,9,12,19H,5-8H2,1-2H3,(H2,18,21)
InChIKeyRKQWWCBVCKHAFZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.12
Rot. Bonds2

About 1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxamide

1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 4784849) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxamide
PubChem CID4784849
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxamide
SMILESCc1[nH]c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2c1C
InChIInChI=1S/C17H21N3O2/c1-10-11(2)19-15-4-3-13(9-14(10)15)17(22)20-7-5-12(6-8-20)16(18)21/h3-4,9,12,19H,5-8H2,1-2H3,(H2,18,21)
InChIKeyRKQWWCBVCKHAFZ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxamide (CID 4784849) is 1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxamide is Cc1[nH]c2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2c1C.
What is the InChIKey of 1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is RKQWWCBVCKHAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10-11(2)19-15-4-3-13(9-14(10)15)17(22)20-7-5-12(6-8-20)16(18)21/h3-4,9,12,19H,5-8H2,1-2H3,(H2,18,21).
What are the key properties of 1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxamide?
1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-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 1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 4784849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).