4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one

C22H27N3O3 — CID 133118830

IUPAC4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC3(CC2)c2ccccc2[C@H](N(C)C)[C@H]3O)cc(=O)[nH]1
InChIInChI=1S/C22H27N3O3/c1-14-12-15(13-18(26)23-14)21(28)25-10-8-22(9-11-25)17-7-5-4-6-16(17)19(20(22)27)24(2)3/h4-7,12-13,19-20,27H,8-11H2,1-3H3,(H,23,26)/t19-,20+/m0/s1
InChIKeySNQKPAHJIVKFJL-VQTJNVASSA-N
MW381.48 g/mol
LogP1.83
Rot. Bonds2

About 4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one

4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 133118830) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID133118830
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC3(CC2)c2ccccc2[C@H](N(C)C)[C@H]3O)cc(=O)[nH]1
InChIInChI=1S/C22H27N3O3/c1-14-12-15(13-18(26)23-14)21(28)25-10-8-22(9-11-25)17-7-5-4-6-16(17)19(20(22)27)24(2)3/h4-7,12-13,19-20,27H,8-11H2,1-3H3,(H,23,26)/t19-,20+/m0/s1
InChIKeySNQKPAHJIVKFJL-VQTJNVASSA-N
XLogP1.83
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methylfuran-3-yl)methanone
CID 28635017
[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylpyrrol-2-yl)methanone
CID 29254130
1-[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-pyrrol-1-ylpropan-1-one
CID 29154316
(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-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(4-methoxyphenyl)methanone
CID 56890390
(1R,2R)-1-(dimethylamino)-1'-[(4,5-dimethylfuran-2-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 29212418
cyclopentyl-[(1R,2R)-2-hydroxy-1-[methyl(propyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methanone
CID 28735727
4-[3-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 138383179
4-[(4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinoline-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 140548968
4-[(3R)-3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 129352590
(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
(1S,2S)-1-(dimethylamino)-1'-[(3-fluoro-2-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133125032

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one (CID 133118830) is 4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one is Cc1cc(C(=O)N2CCC3(CC2)c2ccccc2[C@H](N(C)C)[C@H]3O)cc(=O)[nH]1.
What is the InChIKey of 4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is SNQKPAHJIVKFJL-VQTJNVASSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-14-12-15(13-18(26)23-14)21(28)25-10-8-22(9-11-25)17-7-5-4-6-16(17)19(20(22)27)24(2)3/h4-7,12-13,19-20,27H,8-11H2,1-3H3,(H,23,26)/t19-,20+/m0/s1.
What are the key properties of 4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one?
4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 381.48 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 133118830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).