(1R)-N,N-dimethyl-1'-[(2R)-2-methyl-3-naphthalen-1-ylpropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

C30H34N2O2 — CID 59901182

IUPAC(1R)-N,N-dimethyl-1'-[(2R)-2-methyl-3-naphthalen-1-ylpropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
SMILESC[C@H](Cc1cccc2ccccc12)C(=O)N1CCC2(CC1)C[C@@H](C(=O)N(C)C)c1ccccc12
InChIInChI=1S/C30H34N2O2/c1-21(19-23-11-8-10-22-9-4-5-12-24(22)23)28(33)32-17-15-30(16-18-32)20-26(29(34)31(2)3)25-13-6-7-14-27(25)30/h4-14,21,26H,15-20H2,1-3H3/t21-,26-/m1/s1
InChIKeyXGAOKYRTHWSULP-QFQXNSOFSA-N
MW454.61 g/mol
LogP5.15
Rot. Bonds4

About (1R)-N,N-dimethyl-1'-[(2R)-2-methyl-3-naphthalen-1-ylpropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

(1R)-N,N-dimethyl-1'-[(2R)-2-methyl-3-naphthalen-1-ylpropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (PubChem CID 59901182) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-1'-[(2R)-2-methyl-3-naphthalen-1-ylpropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-1'-[(2R)-2-methyl-3-naphthalen-1-ylpropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
PubChem CID59901182
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC Name(1R)-N,N-dimethyl-1'-[(2R)-2-methyl-3-naphthalen-1-ylpropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
SMILESC[C@H](Cc1cccc2ccccc12)C(=O)N1CCC2(CC1)C[C@@H](C(=O)N(C)C)c1ccccc12
InChIInChI=1S/C30H34N2O2/c1-21(19-23-11-8-10-22-9-4-5-12-24(22)23)28(33)32-17-15-30(16-18-32)20-26(29(34)31(2)3)25-13-6-7-14-27(25)30/h4-14,21,26H,15-20H2,1-3H3/t21-,26-/m1/s1
InChIKeyXGAOKYRTHWSULP-QFQXNSOFSA-N
XLogP5.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-1'-[(2R)-2-methyl-3-naphthalen-1-ylpropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The IUPAC name of (1R)-N,N-dimethyl-1'-[(2R)-2-methyl-3-naphthalen-1-ylpropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (CID 59901182) is (1R)-N,N-dimethyl-1'-[(2R)-2-methyl-3-naphthalen-1-ylpropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for (1R)-N,N-dimethyl-1'-[(2R)-2-methyl-3-naphthalen-1-ylpropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for (1R)-N,N-dimethyl-1'-[(2R)-2-methyl-3-naphthalen-1-ylpropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is C[C@H](Cc1cccc2ccccc12)C(=O)N1CCC2(CC1)C[C@@H](C(=O)N(C)C)c1ccccc12.
What is the InChIKey of (1R)-N,N-dimethyl-1'-[(2R)-2-methyl-3-naphthalen-1-ylpropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The InChIKey is XGAOKYRTHWSULP-QFQXNSOFSA-N. The full InChI is InChI=1S/C30H34N2O2/c1-21(19-23-11-8-10-22-9-4-5-12-24(22)23)28(33)32-17-15-30(16-18-32)20-26(29(34)31(2)3)25-13-6-7-14-27(25)30/h4-14,21,26H,15-20H2,1-3H3/t21-,26-/m1/s1.
What are the key properties of (1R)-N,N-dimethyl-1'-[(2R)-2-methyl-3-naphthalen-1-ylpropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
(1R)-N,N-dimethyl-1'-[(2R)-2-methyl-3-naphthalen-1-ylpropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide has a molecular weight of 454.61 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dimethyl-1'-[(2R)-2-methyl-3-naphthalen-1-ylpropanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 59901182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).