[(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone

C23H23N3O2 — CID 133117218

IUPAC[(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC2(CC1)c1ccccc1[C@H](n1ccnc1)[C@H]2O
InChIInChI=1S/C23H23N3O2/c27-21-20(26-15-12-24-16-26)18-8-4-5-9-19(18)23(21)10-13-25(14-11-23)22(28)17-6-2-1-3-7-17/h1-9,12,15-16,20-21,27H,10-11,13-14H2/t20-,21+/m0/s1
InChIKeyPBVQNODHTZEWMA-LEWJYISDSA-N
MW373.46 g/mol
LogP3.02
Rot. Bonds2

About [(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone

[(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone (PubChem CID 133117218) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is [(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone.

Molecular Properties

Compound Name[(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone
PubChem CID133117218
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name[(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC2(CC1)c1ccccc1[C@H](n1ccnc1)[C@H]2O
InChIInChI=1S/C23H23N3O2/c27-21-20(26-15-12-24-16-26)18-8-4-5-9-19(18)23(21)10-13-25(14-11-23)22(28)17-6-2-1-3-7-17/h1-9,12,15-16,20-21,27H,10-11,13-14H2/t20-,21+/m0/s1
InChIKeyPBVQNODHTZEWMA-LEWJYISDSA-N
XLogP3.02
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone
CID 45251461
(1R,2R)-2-hydroxy-1-imidazol-1-yl-N-phenylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 45175265
[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(4-methoxyphenyl)methanone
CID 56890390
[(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone
CID 31224741
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[(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)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone
CID 56914850
(4-chlorophenyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 47089047
phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418986
1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 56908939
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115269824
(1R,2R)-2-hydroxy-1-morpholin-4-yl-N-phenylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 29217797

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone?
The IUPAC name of [(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone (CID 133117218) is [(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone.
What is the SMILES notation for [(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone?
The canonical SMILES for [(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC2(CC1)c1ccccc1[C@H](n1ccnc1)[C@H]2O.
What is the InChIKey of [(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone?
The InChIKey is PBVQNODHTZEWMA-LEWJYISDSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-21-20(26-15-12-24-16-26)18-8-4-5-9-19(18)23(21)10-13-25(14-11-23)22(28)17-6-2-1-3-7-17/h1-9,12,15-16,20-21,27H,10-11,13-14H2/t20-,21+/m0/s1.
What are the key properties of [(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone?
[(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone has a molecular weight of 373.46 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone is sourced from PubChem (CID 133117218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).