N-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide

C29H32N2O4 — CID 42324711

IUPACN-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide
SMILESCOc1cccc(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccccc2OC)[C@@H]3O)c1
InChIInChI=1S/C29H32N2O4/c1-34-21-9-7-8-20(18-21)19-31-16-14-29(15-17-31)24-12-5-3-10-22(24)26(27(29)32)30-28(33)23-11-4-6-13-25(23)35-2/h3-13,18,26-27,32H,14-17,19H2,1-2H3,(H,30,33)/t26-,27+/m1/s1
InChIKeyFAUCZZYDOFESFI-SXOMAYOGSA-N
MW472.59 g/mol
LogP4.08
Rot. Bonds6

About N-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide

N-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide (PubChem CID 42324711) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide
PubChem CID42324711
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC NameN-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide
SMILESCOc1cccc(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccccc2OC)[C@@H]3O)c1
InChIInChI=1S/C29H32N2O4/c1-34-21-9-7-8-20(18-21)19-31-16-14-29(15-17-31)24-12-5-3-10-22(24)26(27(29)32)30-28(33)23-11-4-6-13-25(23)35-2/h3-13,18,26-27,32H,14-17,19H2,1-2H3,(H,30,33)/t26-,27+/m1/s1
InChIKeyFAUCZZYDOFESFI-SXOMAYOGSA-N
XLogP4.08
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide (CID 42324711) is N-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide is COc1cccc(CN2CCC3(CC2)c2ccccc2[C@@H](NC(=O)c2ccccc2OC)[C@@H]3O)c1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide?
The InChIKey is FAUCZZYDOFESFI-SXOMAYOGSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-34-21-9-7-8-20(18-21)19-31-16-14-29(15-17-31)24-12-5-3-10-22(24)26(27(29)32)30-28(33)23-11-4-6-13-25(23)35-2/h3-13,18,26-27,32H,14-17,19H2,1-2H3,(H,30,33)/t26-,27+/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide?
N-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide has a molecular weight of 472.59 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-1'-[(3-methoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methoxybenzamide is sourced from PubChem (CID 42324711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).