1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide

C23H30N2O — CID 59600603

IUPAC1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)C1=CC2(CCN(C3C[C@@H]4CC[C@@H]3C4)CC2)c2ccccc21
InChIInChI=1S/C23H30N2O/c1-24(2)22(26)19-15-23(20-6-4-3-5-18(19)20)9-11-25(12-10-23)21-14-16-7-8-17(21)13-16/h3-6,15-17,21H,7-14H2,1-2H3/t16-,17-,21?/m1/s1
InChIKeyGRVAGNHSPQUFFF-LJMNQJIDSA-N
MW350.51 g/mol
LogP3.69
Rot. Bonds2

About 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide

1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide (PubChem CID 59600603) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide
PubChem CID59600603
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)C1=CC2(CCN(C3C[C@@H]4CC[C@@H]3C4)CC2)c2ccccc21
InChIInChI=1S/C23H30N2O/c1-24(2)22(26)19-15-23(20-6-4-3-5-18(19)20)9-11-25(12-10-23)21-14-16-7-8-17(21)13-16/h3-6,15-17,21H,7-14H2,1-2H3/t16-,17-,21?/m1/s1
InChIKeyGRVAGNHSPQUFFF-LJMNQJIDSA-N
XLogP3.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide (CID 59600603) is 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)C1=CC2(CCN(C3C[C@@H]4CC[C@@H]3C4)CC2)c2ccccc21.
What is the InChIKey of 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide?
The InChIKey is GRVAGNHSPQUFFF-LJMNQJIDSA-N. The full InChI is InChI=1S/C23H30N2O/c1-24(2)22(26)19-15-23(20-6-4-3-5-18(19)20)9-11-25(12-10-23)21-14-16-7-8-17(21)13-16/h3-6,15-17,21H,7-14H2,1-2H3/t16-,17-,21?/m1/s1.
What are the key properties of 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide?
1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 59600603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).