(2-hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone

C15H19NO3 — CID 71925528

IUPAC(2-hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(N1CCCC(O)C1)C1(O)Cc2ccccc2C1
InChIInChI=1S/C15H19NO3/c17-13-6-3-7-16(10-13)14(18)15(19)8-11-4-1-2-5-12(11)9-15/h1-2,4-5,13,17,19H,3,6-10H2
InChIKeyILDYTOPTOAGKDG-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.50
Rot. Bonds1

About (2-hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone

(2-hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 71925528) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2-hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID71925528
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(2-hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(N1CCCC(O)C1)C1(O)Cc2ccccc2C1
InChIInChI=1S/C15H19NO3/c17-13-6-3-7-16(10-13)14(18)15(19)8-11-4-1-2-5-12(11)9-15/h1-2,4-5,13,17,19H,3,6-10H2
InChIKeyILDYTOPTOAGKDG-UHFFFAOYSA-N
XLogP0.50
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)propanamide
CID 11633324
(2R)-2-hydroxy-3-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)propanamide
CID 44406907
(2-Hydroxy-1,3-dihydroinden-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71856932
(2-Hydroxy-1,3-dihydroinden-2-yl)-thiomorpholin-4-ylmethanone
CID 71874541
(2-Hydroxy-1,3-dihydroinden-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 71925445
N,N-diethyl-2-hydroxy-3-phenylpropanamide
CID 102481935
(2S,3R)-2-hydroxy-3-phenyl-1-pyrrolidin-1-ylbutan-1-one
CID 135011404
(2S,3R)-2-hydroxy-3-phenyl-1-pyrrolidin-1-ylhex-5-en-1-one
CID 135038967
2-(2,3-dihydro-1H-inden-1-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112329189
(2-Hydroxy-1,3-dihydroinden-2-yl)-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 137839700
(2-Hydroxy-1,3-dihydroinden-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 137864005
(2-Hydroxy-1,3-dihydroinden-2-yl)-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 139005892

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (2-hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone (CID 71925528) is (2-hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (2-hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone is O=C(N1CCCC(O)C1)C1(O)Cc2ccccc2C1.
What is the InChIKey of (2-hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is ILDYTOPTOAGKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-13-6-3-7-16(10-13)14(18)15(19)8-11-4-1-2-5-12(11)9-15/h1-2,4-5,13,17,19H,3,6-10H2.
What are the key properties of (2-hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
(2-hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 261.32 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1,3-dihydroinden-2-yl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 71925528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).