[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone

C21H26N2O3 — CID 28635017

IUPAC[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H](N(C)C)[C@@H]2O
InChIInChI=1S/C21H26N2O3/c1-14-15(8-13-26-14)20(25)23-11-9-21(10-12-23)17-7-5-4-6-16(17)18(19(21)24)22(2)3/h4-8,13,18-19,24H,9-12H2,1-3H3/t18-,19+/m1/s1
InChIKeyQNXQJTCTRGNNES-MOPGFXCFSA-N
MW354.45 g/mol
LogP2.74
Rot. Bonds2

About [(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone

[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 28635017) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone
PubChem CID28635017
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H](N(C)C)[C@@H]2O
InChIInChI=1S/C21H26N2O3/c1-14-15(8-13-26-14)20(25)23-11-9-21(10-12-23)17-7-5-4-6-16(17)18(19(21)24)22(2)3/h4-8,13,18-19,24H,9-12H2,1-3H3/t18-,19+/m1/s1
InChIKeyQNXQJTCTRGNNES-MOPGFXCFSA-N
XLogP2.74
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylpyrrol-2-yl)methanone
CID 29254130
4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one
CID 133118830
1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one
CID 29154316
N,N-diethyl-2-[1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131644637
(E)-1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 29102845
(1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 29212418
N-cyclobutyl-2-[(1R)-1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375898
N-methyl-2-[1'-(2-methylfuran-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131662944
8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134074647
(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
CID 63105467
[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 18143330
(2-methylfuran-3-yl)-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 97450408

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone (CID 28635017) is [(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCC2(CC1)c1ccccc1[C@@H](N(C)C)[C@@H]2O.
What is the InChIKey of [(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is QNXQJTCTRGNNES-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-15(8-13-26-14)20(25)23-11-9-21(10-12-23)17-7-5-4-6-16(17)18(19(21)24)22(2)3/h4-8,13,18-19,24H,9-12H2,1-3H3/t18-,19+/m1/s1.
What are the key properties of [(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone?
[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 28635017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).