1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N-propan-2-ylspiro[3H-naphthalene-4,4'-piperidine]-1-carboxamide;molecular hydrogen

C25H36N2O — CID 161093983

IUPAC1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N-propan-2-ylspiro[3H-naphthalene-4,4'-piperidine]-1-carboxamide;molecular hydrogen
SMILESCC(C)NC(=O)C1=CCC2(CCN(C3C[C@@H]4CC[C@@H]3C4)CC2)c2ccccc21.[H][H]
InChIInChI=1S/C25H34N2O.H2/c1-17(2)26-24(28)21-9-10-25(22-6-4-3-5-20(21)22)11-13-27(14-12-25)23-16-18-7-8-19(23)15-18;/h3-6,9,17-19,23H,7-8,10-16H2,1-2H3,(H,26,28);1H/t18-,19-,23?;/m1./s1
InChIKeyUHNXISZAGQIHRY-GMOZJLBJSA-N
MW380.58 g/mol
LogP4.77
Rot. Bonds3

About 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N-propan-2-ylspiro[3H-naphthalene-4,4'-piperidine]-1-carboxamide;molecular hydrogen

1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N-propan-2-ylspiro[3H-naphthalene-4,4'-piperidine]-1-carboxamide;molecular hydrogen (PubChem CID 161093983) has the molecular formula C25H36N2O and a molecular weight of 380.58 g/mol. Its IUPAC name is 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N-propan-2-ylspiro[3H-naphthalene-4,4'-piperidine]-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N-propan-2-ylspiro[3H-naphthalene-4,4'-piperidine]-1-carboxamide;molecular hydrogen
PubChem CID161093983
Molecular FormulaC25H36N2O
Molecular Weight380.58 g/mol
Exact Mass380.28
IUPAC Name1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N-propan-2-ylspiro[3H-naphthalene-4,4'-piperidine]-1-carboxamide;molecular hydrogen
SMILESCC(C)NC(=O)C1=CCC2(CCN(C3C[C@@H]4CC[C@@H]3C4)CC2)c2ccccc21.[H][H]
InChIInChI=1S/C25H34N2O.H2/c1-17(2)26-24(28)21-9-10-25(22-6-4-3-5-20(21)22)11-13-27(14-12-25)23-16-18-7-8-19(23)15-18;/h3-6,9,17-19,23H,7-8,10-16H2,1-2H3,(H,26,28);1H/t18-,19-,23?;/m1./s1
InChIKeyUHNXISZAGQIHRY-GMOZJLBJSA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 54.77
H-Bond Donors ≤ 51
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-propan-2-ylspiro[3H-naphthalene-4,4'-piperidine]-1-carboxamide;molecular hydrogen?
The IUPAC name of 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N-propan-2-ylspiro[3H-naphthalene-4,4'-piperidine]-1-carboxamide;molecular hydrogen (CID 161093983) is 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N-propan-2-ylspiro[3H-naphthalene-4,4'-piperidine]-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N-propan-2-ylspiro[3H-naphthalene-4,4'-piperidine]-1-carboxamide;molecular hydrogen?
The canonical SMILES for 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N-propan-2-ylspiro[3H-naphthalene-4,4'-piperidine]-1-carboxamide;molecular hydrogen is CC(C)NC(=O)C1=CCC2(CCN(C3C[C@@H]4CC[C@@H]3C4)CC2)c2ccccc21.[H][H].
What is the InChIKey of 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N-propan-2-ylspiro[3H-naphthalene-4,4'-piperidine]-1-carboxamide;molecular hydrogen?
The InChIKey is UHNXISZAGQIHRY-GMOZJLBJSA-N. The full InChI is InChI=1S/C25H34N2O.H2/c1-17(2)26-24(28)21-9-10-25(22-6-4-3-5-20(21)22)11-13-27(14-12-25)23-16-18-7-8-19(23)15-18;/h3-6,9,17-19,23H,7-8,10-16H2,1-2H3,(H,26,28);1H/t18-,19-,23?;/m1./s1.
What are the key properties of 1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N-propan-2-ylspiro[3H-naphthalene-4,4'-piperidine]-1-carboxamide;molecular hydrogen?
1'-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]-N-propan-2-ylspiro[3H-naphthalene-4,4'-piperidine]-1-carboxamide;molecular hydrogen has a molecular weight of 380.58 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 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-propan-2-ylspiro[3H-naphthalene-4,4'-piperidine]-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 161093983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).