2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide

C17H21N3O2 — CID 95786373

IUPAC2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide
SMILESCn1c(C(=O)N2CCC[C@@H](CC(N)=O)C2)cc2ccccc21
InChIInChI=1S/C17H21N3O2/c1-19-14-7-3-2-6-13(14)10-15(19)17(22)20-8-4-5-12(11-20)9-16(18)21/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H2,18,21)/t12-/m0/s1
InChIKeyGNDSKWINAIUOGM-LBPRGKRZSA-N
MW299.37 g/mol
LogP1.91
Rot. Bonds3

About 2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide

2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide (PubChem CID 95786373) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide
PubChem CID95786373
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide
SMILESCn1c(C(=O)N2CCC[C@@H](CC(N)=O)C2)cc2ccccc21
InChIInChI=1S/C17H21N3O2/c1-19-14-7-3-2-6-13(14)10-15(19)17(22)20-8-4-5-12(11-20)9-16(18)21/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H2,18,21)/t12-/m0/s1
InChIKeyGNDSKWINAIUOGM-LBPRGKRZSA-N
XLogP1.91
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-1-(1-ethylindole-2-carbonyl)piperidin-3-yl]propanoic acid
CID 129414879
(1-methylindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380576
[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 72915978
(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
CID 155873055
1-(1-methylindole-2-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896436
[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 45216101
formic acid;(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
CID 155873054
[(5aS,8aS)-4-(cyclopropylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-(1-methylindol-2-yl)methanone
CID 131691496
(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 29139344
3-methyl-1-(1-methylindole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256327
[(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 25289588
2-[(3R)-1-(6-methoxy-1H-indole-2-carbonyl)piperidin-3-yl]acetamide
CID 95786376

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide (CID 95786373) is 2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide is Cn1c(C(=O)N2CCC[C@@H](CC(N)=O)C2)cc2ccccc21.
What is the InChIKey of 2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is GNDSKWINAIUOGM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-19-14-7-3-2-6-13(14)10-15(19)17(22)20-8-4-5-12(11-20)9-16(18)21/h2-3,6-7,10,12H,4-5,8-9,11H2,1H3,(H2,18,21)/t12-/m0/s1.
What are the key properties of 2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide?
2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(1-methylindole-2-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 95786373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).