[(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone

C23H30N4O2 — CID 31224741

IUPAC[(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H](N1CCCCC1)[C@@H]2O
InChIInChI=1S/C23H30N4O2/c1-25-16-11-24-21(25)22(29)27-14-9-23(10-15-27)18-8-4-3-7-17(18)19(20(23)28)26-12-5-2-6-13-26/h3-4,7-8,11,16,19-20,28H,2,5-6,9-10,12-15H2,1H3/t19-,20+/m1/s1
InChIKeyJRHRDJPWKBPSDE-UXHICEINSA-N
MW394.52 g/mol
LogP2.50
Rot. Bonds2

About [(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone

[(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 31224741) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is [(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID31224741
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name[(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H](N1CCCCC1)[C@@H]2O
InChIInChI=1S/C23H30N4O2/c1-25-16-11-24-21(25)22(29)27-14-9-23(10-15-27)18-8-4-3-7-17(18)19(20(23)28)26-12-5-2-6-13-26/h3-4,7-8,11,16,19-20,28H,2,5-6,9-10,12-15H2,1H3/t19-,20+/m1/s1
InChIKeyJRHRDJPWKBPSDE-UXHICEINSA-N
XLogP2.50
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
[(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
(1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 95043516
[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylpyrrol-2-yl)methanone
CID 29254130
[(1S,2S)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-phenylmethanone
CID 133117218
[4-(2-chlorophenyl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 131929401
1-[(1R,2R)-2-hydroxy-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-methylbut-2-en-1-one
CID 31224187
(1R,2R)-1-piperidin-1-yl-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 154889646
[(1R,2R)-2-hydroxy-1-imidazol-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-thiophen-2-ylmethanone
CID 45251461
[(3R)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 124960013
[2-(dimethylamino)-7-azaspiro[3.5]nonan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155844409
4-[(1R,2R)-2-hydroxy-1'-(thiophene-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-2-one
CID 28955841

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone (CID 31224741) is [(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H](N1CCCCC1)[C@@H]2O.
What is the InChIKey of [(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is JRHRDJPWKBPSDE-UXHICEINSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-25-16-11-24-21(25)22(29)27-14-9-23(10-15-27)18-8-4-3-7-17(18)19(20(23)28)26-12-5-2-6-13-26/h3-4,7-8,11,16,19-20,28H,2,5-6,9-10,12-15H2,1H3/t19-,20+/m1/s1.
What are the key properties of [(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone?
[(1R,2R)-2-hydroxy-1-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 394.52 g/mol, XLogP of 2.50, 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-piperidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 31224741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).