N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide

C25H36N4O — CID 58033820

IUPACN-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2CCC3(CCN(CCC(C)(C)C)CC3)c3ccccc32)cn1
InChIInChI=1S/C25H36N4O/c1-24(2,3)11-14-29-15-12-25(13-16-29)10-9-22(20-7-5-6-8-21(20)25)27-23(30)19-17-26-28(4)18-19/h5-8,17-18,22H,9-16H2,1-4H3,(H,27,30)/t22-/m1/s1
InChIKeyGQWVRYNDCZVORF-JOCHJYFZSA-N
MW408.59 g/mol
LogP4.45
Rot. Bonds4

About N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide

N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 58033820) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide
PubChem CID58033820
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC NameN-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2CCC3(CCN(CCC(C)(C)C)CC3)c3ccccc32)cn1
InChIInChI=1S/C25H36N4O/c1-24(2,3)11-14-29-15-12-25(13-16-29)10-9-22(20-7-5-6-8-21(20)25)27-23(30)19-17-26-28(4)18-19/h5-8,17-18,22H,9-16H2,1-4H3,(H,27,30)/t22-/m1/s1
InChIKeyGQWVRYNDCZVORF-JOCHJYFZSA-N
XLogP4.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide (CID 58033820) is N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)N[C@@H]2CCC3(CCN(CCC(C)(C)C)CC3)c3ccccc32)cn1.
What is the InChIKey of N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is GQWVRYNDCZVORF-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H36N4O/c1-24(2,3)11-14-29-15-12-25(13-16-29)10-9-22(20-7-5-6-8-21(20)25)27-23(30)19-17-26-28(4)18-19/h5-8,17-18,22H,9-16H2,1-4H3,(H,27,30)/t22-/m1/s1.
What are the key properties of N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide?
N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 408.59 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 58033820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).