3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one

C20H23N3O3 — CID 56888472

IUPAC3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)c(=O)[nH]1
InChIInChI=1S/C20H23N3O3/c1-12-6-7-14(18(25)22-12)19(26)23-10-8-20(9-11-23)15-5-3-2-4-13(15)16(21)17(20)24/h2-7,16-17,24H,8-11,21H2,1H3,(H,22,25)/t16-,17+/m1/s1
InChIKeyRQFYTAHYBDBLSX-SJORKVTESA-N
MW353.42 g/mol
LogP1.23
Rot. Bonds1

About 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one

3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 56888472) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID56888472
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)c(=O)[nH]1
InChIInChI=1S/C20H23N3O3/c1-12-6-7-14(18(25)22-12)19(26)23-10-8-20(9-11-23)15-5-3-2-4-13(15)16(21)17(20)24/h2-7,16-17,24H,8-11,21H2,1H3,(H,22,25)/t16-,17+/m1/s1
InChIKeyRQFYTAHYBDBLSX-SJORKVTESA-N
XLogP1.23
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one (CID 56888472) is 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N)[C@@H]3O)c(=O)[nH]1.
What is the InChIKey of 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is RQFYTAHYBDBLSX-SJORKVTESA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12-6-7-14(18(25)22-12)19(26)23-10-8-20(9-11-23)15-5-3-2-4-13(15)16(21)17(20)24/h2-7,16-17,24H,8-11,21H2,1H3,(H,22,25)/t16-,17+/m1/s1.
What are the key properties of 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one?
3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 353.42 g/mol, XLogP of 1.23, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 56888472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).