N-[2-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-oxoethyl]-2-methylpropanamide

C19H27N3O3 — CID 56892723

IUPACN-[2-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N)[C@@H]2O
InChIInChI=1S/C19H27N3O3/c1-12(2)18(25)21-11-15(23)22-9-7-19(8-10-22)14-6-4-3-5-13(14)16(20)17(19)24/h3-6,12,16-17,24H,7-11,20H2,1-2H3,(H,21,25)/t16-,17+/m1/s1
InChIKeyHDBYTPFZIYIABH-SJORKVTESA-N
MW345.44 g/mol
LogP0.69
Rot. Bonds3

About N-[2-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-oxoethyl]-2-methylpropanamide

N-[2-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-oxoethyl]-2-methylpropanamide (PubChem CID 56892723) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-oxoethyl]-2-methylpropanamide
PubChem CID56892723
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[2-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N)[C@@H]2O
InChIInChI=1S/C19H27N3O3/c1-12(2)18(25)21-11-15(23)22-9-7-19(8-10-22)14-6-4-3-5-13(14)16(20)17(19)24/h3-6,12,16-17,24H,7-11,20H2,1-2H3,(H,21,25)/t16-,17+/m1/s1
InChIKeyHDBYTPFZIYIABH-SJORKVTESA-N
XLogP0.69
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-oxoethyl]-2-methylpropanamide (CID 56892723) is N-[2-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-oxoethyl]-2-methylpropanamide is CC(C)C(=O)NCC(=O)N1CCC2(CC1)c1ccccc1[C@@H](N)[C@@H]2O.
What is the InChIKey of N-[2-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-oxoethyl]-2-methylpropanamide?
The InChIKey is HDBYTPFZIYIABH-SJORKVTESA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12(2)18(25)21-11-15(23)22-9-7-19(8-10-22)14-6-4-3-5-13(14)16(20)17(19)24/h3-6,12,16-17,24H,7-11,20H2,1-2H3,(H,21,25)/t16-,17+/m1/s1.
What are the key properties of N-[2-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-oxoethyl]-2-methylpropanamide?
N-[2-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 345.44 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 56892723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).