1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide

C16H19N3O2 — CID 43226754

IUPAC1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CC(=O)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C16H19N3O2/c17-16(21)11-4-3-7-19(9-11)10-15(20)13-8-18-14-6-2-1-5-12(13)14/h1-2,5-6,8,11,18H,3-4,7,9-10H2,(H2,17,21)
InChIKeyRCPVOJYWIWJCLK-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.55
Rot. Bonds4

About 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide

1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 43226754) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID43226754
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CC(=O)c2c[nH]c3ccccc23)C1
InChIInChI=1S/C16H19N3O2/c17-16(21)11-4-3-7-19(9-11)10-15(20)13-8-18-14-6-2-1-5-12(13)14/h1-2,5-6,8,11,18H,3-4,7,9-10H2,(H2,17,21)
InChIKeyRCPVOJYWIWJCLK-UHFFFAOYSA-N
XLogP1.55
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone
CID 78950336
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 115648322
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
2-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 17428236
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485
1-(1H-indol-3-yl)-2-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 71933432
1-[2-(2,4-dichlorophenyl)-2-oxoethyl]piperidine-3-carboxamide
CID 43228705
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72874902
2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone
CID 115642542

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide (CID 43226754) is 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide is NC(=O)C1CCCN(CC(=O)c2c[nH]c3ccccc23)C1.
What is the InChIKey of 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is RCPVOJYWIWJCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-16(21)11-4-3-7-19(9-11)10-15(20)13-8-18-14-6-2-1-5-12(13)14/h1-2,5-6,8,11,18H,3-4,7,9-10H2,(H2,17,21).
What are the key properties of 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide?
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 43226754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).