2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C17H23N3O2 — CID 51924548

IUPAC2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CN1CCC[C@H](O)C1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O2/c21-14-4-3-9-20(11-14)12-17(22)18-8-7-13-10-19-16-6-2-1-5-15(13)16/h1-2,5-6,10,14,19,21H,3-4,7-9,11-12H2,(H,18,22)/t14-/m0/s1
InChIKeyDXGKRBQJDGXGSF-AWEZNQCLSA-N
MW301.39 g/mol
LogP1.28
Rot. Bonds5

About 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 51924548) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID51924548
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(CN1CCC[C@H](O)C1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O2/c21-14-4-3-9-20(11-14)12-17(22)18-8-7-13-10-19-16-6-2-1-5-15(13)16/h1-2,5-6,10,14,19,21H,3-4,7-9,11-12H2,(H,18,22)/t14-/m0/s1
InChIKeyDXGKRBQJDGXGSF-AWEZNQCLSA-N
XLogP1.28
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 40700639
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17413437
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26551169
2-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 32750927
2-[4-(4-fluorophenoxy)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 46981333
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595951
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8620098
N-[2-(1H-indol-3-yl)ethyl]-2-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 42397929
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide
CID 125175300

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 51924548) is 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(CN1CCC[C@H](O)C1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is DXGKRBQJDGXGSF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-14-4-3-9-20(11-14)12-17(22)18-8-7-13-10-19-16-6-2-1-5-15(13)16/h1-2,5-6,10,14,19,21H,3-4,7-9,11-12H2,(H,18,22)/t14-/m0/s1.
What are the key properties of 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 301.39 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 51924548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).