1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one

C22H29N3O2 — CID 29154316

IUPAC1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one
SMILESCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)CCn3cccc3)CC2)[C@H]1O
InChIInChI=1S/C22H29N3O2/c1-23(2)20-17-7-3-4-8-18(17)22(21(20)27)10-15-25(16-11-22)19(26)9-14-24-12-5-6-13-24/h3-8,12-13,20-21,27H,9-11,14-16H2,1-2H3/t20-,21+/m1/s1
InChIKeyNXCIRENLSSVADR-RTWAWAEBSA-N
MW367.49 g/mol
LogP2.42
Rot. Bonds4

About 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one

1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one (PubChem CID 29154316) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one
PubChem CID29154316
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one
SMILESCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)CCn3cccc3)CC2)[C@H]1O
InChIInChI=1S/C22H29N3O2/c1-23(2)20-17-7-3-4-8-18(17)22(21(20)27)10-15-25(16-11-22)19(26)9-14-24-12-5-6-13-24/h3-8,12-13,20-21,27H,9-11,14-16H2,1-2H3/t20-,21+/m1/s1
InChIKeyNXCIRENLSSVADR-RTWAWAEBSA-N
XLogP2.42
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.42
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
[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone
CID 28635017
(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
4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one
CID 133118830
cyclopentyl-[(1R,2R)-2-hydroxy-1-[methyl(propyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone
CID 28735727
(1S,2S)-1-(dimethylamino)-1'-[(3-fluoro-2-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133125032
(1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 29212418
(1R,2R)-1-(dimethylamino)-1'-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 154888066
1-[(1S,2S)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-4-pyrazolidin-4-ylbutan-1-one
CID 133128124
2-[(1R,2R)-2-hydroxy-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]acetic acid
CID 28849484
1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one
CID 82507429
1-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1-methylpyrrol-2-yl)propan-1-one
CID 95726493

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one (CID 29154316) is 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one is CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)CCn3cccc3)CC2)[C@H]1O.
What is the InChIKey of 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one?
The InChIKey is NXCIRENLSSVADR-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-23(2)20-17-7-3-4-8-18(17)22(21(20)27)10-15-25(16-11-22)19(26)9-14-24-12-5-6-13-24/h3-8,12-13,20-21,27H,9-11,14-16H2,1-2H3/t20-,21+/m1/s1.
What are the key properties of 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one?
1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one has a molecular weight of 367.49 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 29154316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).