N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide

C22H27N3O3 — CID 56894795

IUPACN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C22H27N3O3/c1-13-12-14(2)25(3)21(28)17(13)20(27)24-18-15-6-4-5-7-16(15)22(19(18)26)8-10-23-11-9-22/h4-7,12,18-19,23,26H,8-11H2,1-3H3,(H,24,27)/t18-,19+/m1/s1
InChIKeyWPWUPUCSIZUVCZ-MOPGFXCFSA-N
MW381.48 g/mol
LogP1.47
Rot. Bonds2

About N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide

N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide (PubChem CID 56894795) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
PubChem CID56894795
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C22H27N3O3/c1-13-12-14(2)25(3)21(28)17(13)20(27)24-18-15-6-4-5-7-16(15)22(19(18)26)8-10-23-11-9-22/h4-7,12,18-19,23,26H,8-11H2,1-3H3,(H,24,27)/t18-,19+/m1/s1
InChIKeyWPWUPUCSIZUVCZ-MOPGFXCFSA-N
XLogP1.47
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-pyrazol-1-ylbenzamide
CID 56898212
N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 56891709
2-(2,6-difluorophenyl)-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 56887275
4-methoxy-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide;hydrochloride
CID 154895064
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 154894094
N-cycloheptyl-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110855496
N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 56898268
(1S,2R)-spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
CID 131859580
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride
CID 154895204
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide;hydrochloride
CID 154893991
N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide
CID 56914894
N-(2,6-dimethylphenyl)-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110857573

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide (CID 56894795) is N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide is Cc1cc(C)n(C)c(=O)c1C(=O)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is WPWUPUCSIZUVCZ-MOPGFXCFSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-13-12-14(2)25(3)21(28)17(13)20(27)24-18-15-6-4-5-7-16(15)22(19(18)26)8-10-23-11-9-22/h4-7,12,18-19,23,26H,8-11H2,1-3H3,(H,24,27)/t18-,19+/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide?
N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 56894795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).