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

C21H24N2O2 — CID 118759731

IUPACN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C21H24N2O2/c24-18(14-15-6-2-1-3-7-15)23-19-16-8-4-5-9-17(16)21(20(19)25)10-12-22-13-11-21/h1-9,19-20,22,25H,10-14H2,(H,23,24)/t19-,20+/m1/s1
InChIKeyZTZSRUJWKIHXFI-UXHICEINSA-N
MW336.44 g/mol
LogP2.08
Rot. Bonds3

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

N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide (PubChem CID 118759731) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
PubChem CID118759731
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C21H24N2O2/c24-18(14-15-6-2-1-3-7-15)23-19-16-8-4-5-9-17(16)21(20(19)25)10-12-22-13-11-21/h1-9,19-20,22,25H,10-14H2,(H,23,24)/t19-,20+/m1/s1
InChIKeyZTZSRUJWKIHXFI-UXHICEINSA-N
XLogP2.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

L 685434
CID 5464035
N,N-Bis(2-hydroxy-1-indanyl)-2,6-diphenylmethyl-4-hydroxy-1,7-heptandiamide
CID 5482936
tert-butyl N-[(2S,3S,5R)-5-[(4-tert-butylphenyl)methyl]-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenylpentan-2-yl]carbamate
CID 5479350
Carbamic acid, (5-((2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, cyclopentyl ester, (1S-(1alpha(1R*,2R*,4S*),2alpha))-
CID 5479411
(2R,4S)-2-benzyl-5-[(3S,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 5482397
(2R,4S)-2-benzyl-5-[(3R,5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 15954108
Benzocycloalkyl amine
CID 5479247
(R)-2-Biphenyl-4-ylmethyl-N*4*-hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-yl)-succinamide
CID 44265485
Urethane deriv. 7
CID 5479414
tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenylpentan-2-yl]carbamate
CID 5480980
(2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 5494863
(2R,4S)-2-benzyl-5-[(3S)-3-benzyl-1-oxo-8-oxa-2-azaspiro[4.5]decan-2-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
CID 5494864

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide?
The IUPAC name of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide (CID 118759731) is N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide is O=C(Cc1ccccc1)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide?
The InChIKey is ZTZSRUJWKIHXFI-UXHICEINSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-18(14-15-6-2-1-3-7-15)23-19-16-8-4-5-9-17(16)21(20(19)25)10-12-22-13-11-21/h1-9,19-20,22,25H,10-14H2,(H,23,24)/t19-,20+/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide?
N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide has a molecular weight of 336.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide is sourced from PubChem (CID 118759731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).