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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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).