N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride

C24H29ClN2O2 — CID 154893274

IUPACN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride
SMILESCO[C@H]1[C@H](NC(=O)C2(c3ccccc3)CC2)c2ccccc2C12CCNCC2.Cl
InChIInChI=1S/C24H28N2O2.ClH/c1-28-21-20(26-22(27)23(11-12-23)17-7-3-2-4-8-17)18-9-5-6-10-19(18)24(21)13-15-25-16-14-24;/h2-10,20-21,25H,11-16H2,1H3,(H,26,27);1H/t20-,21+;/m1./s1
InChIKeyUSPGWSRKOSMGBI-BHDTVMLSSA-N
MW412.96 g/mol
LogP3.65
Rot. Bonds4

About N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride

N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 154893274) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride
PubChem CID154893274
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC NameN-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride
SMILESCO[C@H]1[C@H](NC(=O)C2(c3ccccc3)CC2)c2ccccc2C12CCNCC2.Cl
InChIInChI=1S/C24H28N2O2.ClH/c1-28-21-20(26-22(27)23(11-12-23)17-7-3-2-4-8-17)18-9-5-6-10-19(18)24(21)13-15-25-16-14-24;/h2-10,20-21,25H,11-16H2,1H3,(H,26,27);1H/t20-,21+;/m1./s1
InChIKeyUSPGWSRKOSMGBI-BHDTVMLSSA-N
XLogP3.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide
CID 133132058
2-(4-hydroxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133138249
4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
CID 133124703
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 154894094
2-(2-methoxyphenyl)-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 133115310
2-(2,6-difluorophenyl)-N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 70736734
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
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]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;hydrochloride
CID 154894211
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxopyrimidin-1-yl)acetamide;hydrochloride
CID 154894928
N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 133122330

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride (CID 154893274) is N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride is CO[C@H]1[C@H](NC(=O)C2(c3ccccc3)CC2)c2ccccc2C12CCNCC2.Cl.
What is the InChIKey of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is USPGWSRKOSMGBI-BHDTVMLSSA-N. The full InChI is InChI=1S/C24H28N2O2.ClH/c1-28-21-20(26-22(27)23(11-12-23)17-7-3-2-4-8-17)18-9-5-6-10-19(18)24(21)13-15-25-16-14-24;/h2-10,20-21,25H,11-16H2,1H3,(H,26,27);1H/t20-,21+;/m1./s1.
What are the key properties of N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride?
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 412.96 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-phenylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 154893274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).