N-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide

C29H36N4O2 — CID 26275022

IUPACN-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
SMILESCO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(Cc1ccc(-n3cccn3)cc1C)CC2
InChIInChI=1S/C29H36N4O2/c1-20(2)28(34)31-26-24-8-5-6-9-25(24)29(27(26)35-4)12-16-32(17-13-29)19-22-10-11-23(18-21(22)3)33-15-7-14-30-33/h5-11,14-15,18,20,26-27H,12-13,16-17,19H2,1-4H3,(H,31,34)/t26-,27+/m1/s1
InChIKeyUFHCEIOHUYOWEP-SXOMAYOGSA-N
MW472.63 g/mol
LogP4.56
Rot. Bonds6

About N-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide

N-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (PubChem CID 26275022) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
PubChem CID26275022
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC NameN-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
SMILESCO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(Cc1ccc(-n3cccn3)cc1C)CC2
InChIInChI=1S/C29H36N4O2/c1-20(2)28(34)31-26-24-8-5-6-9-25(24)29(27(26)35-4)12-16-32(17-13-29)19-22-10-11-23(18-21(22)3)33-15-7-14-30-33/h5-11,14-15,18,20,26-27H,12-13,16-17,19H2,1-4H3,(H,31,34)/t26-,27+/m1/s1
InChIKeyUFHCEIOHUYOWEP-SXOMAYOGSA-N
XLogP4.56
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-1'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 42162365
N-[(1R,2R)-1'-(2-hydroxyethyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 118754439
N-[(1R,2R)-1'-[(2-fluoro-4-methoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-2-carboxamide
CID 42275878
N-[(1R,2R)-2-(2-methoxyethoxy)-1'-[(E)-2-methylbut-2-enyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 42407522
N-[(1S,2S)-1'-(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 133139315
N-[(1R,2R)-2-methoxy-1'-[3-(1-methylpyrazol-4-yl)prop-2-enoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 91939940
N-[(1R,2R)-1'-[(3,5-dimethoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 26281951
N-[(1S,2S)-1'-[(2,5-difluorophenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide
CID 133134966
N-[(1R,2R)-1'-[(2,5-dimethoxyphenyl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylsulfanylacetamide
CID 42372870
N-[(1R,2R)-2-methoxy-1'-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-thiophen-2-ylacetamide
CID 42165398
2-cyclopropyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]propanamide
CID 136572601
N-[(1R,2R)-2-methoxy-1'-[(2-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
CID 42501496

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
The IUPAC name of N-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (CID 26275022) is N-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
The canonical SMILES for N-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide is CO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CCN(Cc1ccc(-n3cccn3)cc1C)CC2.
What is the InChIKey of N-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
The InChIKey is UFHCEIOHUYOWEP-SXOMAYOGSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-20(2)28(34)31-26-24-8-5-6-9-25(24)29(27(26)35-4)12-16-32(17-13-29)19-22-10-11-23(18-21(22)3)33-15-7-14-30-33/h5-11,14-15,18,20,26-27H,12-13,16-17,19H2,1-4H3,(H,31,34)/t26-,27+/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
N-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide has a molecular weight of 472.63 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxy-1'-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide is sourced from PubChem (CID 26275022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).