2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone

C14H18N2O2 — CID 107222896

IUPAC2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)NCC2)N1CCC[C@H](O)C1
InChIInChI=1S/C14H18N2O2/c17-12-2-1-7-16(9-12)14(18)11-4-3-10-5-6-15-13(10)8-11/h3-4,8,12,15,17H,1-2,5-7,9H2/t12-/m0/s1
InChIKeyGINVVIPAIVYGKQ-LBPRGKRZSA-N
MW246.31 g/mol
LogP1.25
Rot. Bonds1

About 2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone

2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107222896) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107222896
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)NCC2)N1CCC[C@H](O)C1
InChIInChI=1S/C14H18N2O2/c17-12-2-1-7-16(9-12)14(18)11-4-3-10-5-6-15-13(10)8-11/h3-4,8,12,15,17H,1-2,5-7,9H2/t12-/m0/s1
InChIKeyGINVVIPAIVYGKQ-LBPRGKRZSA-N
XLogP1.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103605924
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644
[(3S)-3-hydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 107217446
4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
CID 93040598
2,3-dihydro-1H-indol-6-yl(morpholin-4-yl)methanone
CID 90299623
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
[(3S)-3-hydroxypyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 79029502
N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-3-yl]acetamide
CID 60947810
(3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
CID 115276942
(2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300639
(3-chloro-4-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224293
(2-bromo-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103754387

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107222896) is 2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone is O=C(c1ccc2c(c1)NCC2)N1CCC[C@H](O)C1.
What is the InChIKey of 2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is GINVVIPAIVYGKQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-12-2-1-7-16(9-12)14(18)11-4-3-10-5-6-15-13(10)8-11/h3-4,8,12,15,17H,1-2,5-7,9H2/t12-/m0/s1.
What are the key properties of 2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone?
2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 246.31 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-6-yl-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107222896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).