[(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone

C21H21N3O2S — CID 45251461

IUPAC[(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC2(CC1)c1ccccc1[C@@H](n1ccnc1)[C@@H]2O
InChIInChI=1S/C21H21N3O2S/c25-19-18(24-12-9-22-14-24)15-4-1-2-5-16(15)21(19)7-10-23(11-8-21)20(26)17-6-3-13-27-17/h1-6,9,12-14,18-19,25H,7-8,10-11H2/t18-,19+/m1/s1
InChIKeyAADSDCQAHLGKSU-MOPGFXCFSA-N
MW379.49 g/mol
LogP3.08
Rot. Bonds2

About [(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone

[(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone (PubChem CID 45251461) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is [(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone
PubChem CID45251461
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name[(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC2(CC1)c1ccccc1[C@@H](n1ccnc1)[C@@H]2O
InChIInChI=1S/C21H21N3O2S/c25-19-18(24-12-9-22-14-24)15-4-1-2-5-16(15)21(19)7-10-23(11-8-21)20(26)17-6-3-13-27-17/h1-6,9,12-14,18-19,25H,7-8,10-11H2/t18-,19+/m1/s1
InChIKeyAADSDCQAHLGKSU-MOPGFXCFSA-N
XLogP3.08
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone
CID 133117218
(1R,2R)-2-hydroxy-1-imidazol-1-yl-N-phenylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 45175265
4-[(1R,2R)-2-hydroxy-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-2-one
CID 28955841
(4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 136579926
[(1R,2R)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 30881837
[(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone
CID 31224741
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2746394
N-cyclopropyl-2-[(1S)-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376130
4-pyridin-4-yl-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118744989
(3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 122269158

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone (CID 45251461) is [(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC2(CC1)c1ccccc1[C@@H](n1ccnc1)[C@@H]2O.
What is the InChIKey of [(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone?
The InChIKey is AADSDCQAHLGKSU-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-19-18(24-12-9-22-14-24)15-4-1-2-5-16(15)21(19)7-10-23(11-8-21)20(26)17-6-3-13-27-17/h1-6,9,12-14,18-19,25H,7-8,10-11H2/t18-,19+/m1/s1.
What are the key properties of [(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone?
[(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone has a molecular weight of 379.49 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 45251461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).