N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen

C26H41FN2O2 — CID 158785617

IUPACN-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen
SMILESCC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)C3CCOCC3)c3ccc(F)cc32)CC1.[H][H]
InChIInChI=1S/C26H39FN2O2.H2/c1-25(2,3)10-13-29-14-11-26(12-15-29)9-6-23(21-5-4-20(27)18-22(21)26)28-24(30)19-7-16-31-17-8-19;/h4-5,18-19,23H,6-17H2,1-3H3,(H,28,30);1H/t23-;/m1./s1
InChIKeyIRQJPIGHFIIQRU-GNAFDRTKSA-N
MW432.62 g/mol
LogP5.22
Rot. Bonds4

About N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen

N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen (PubChem CID 158785617) has the molecular formula C26H41FN2O2 and a molecular weight of 432.62 g/mol. Its IUPAC name is N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen
PubChem CID158785617
Molecular FormulaC26H41FN2O2
Molecular Weight432.62 g/mol
Exact Mass432.32
IUPAC NameN-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen
SMILESCC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)C3CCOCC3)c3ccc(F)cc32)CC1.[H][H]
InChIInChI=1S/C26H39FN2O2.H2/c1-25(2,3)10-13-29-14-11-26(12-15-29)9-6-23(21-5-4-20(27)18-22(21)26)28-24(30)19-7-16-31-17-8-19;/h4-5,18-19,23H,6-17H2,1-3H3,(H,28,30);1H/t23-;/m1./s1
InChIKeyIRQJPIGHFIIQRU-GNAFDRTKSA-N
XLogP5.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.62
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen?
The IUPAC name of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen (CID 158785617) is N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen?
The canonical SMILES for N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen is CC(C)(C)CCN1CCC2(CC[C@@H](NC(=O)C3CCOCC3)c3ccc(F)cc32)CC1.[H][H].
What is the InChIKey of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen?
The InChIKey is IRQJPIGHFIIQRU-GNAFDRTKSA-N. The full InChI is InChI=1S/C26H39FN2O2.H2/c1-25(2,3)10-13-29-14-11-26(12-15-29)9-6-23(21-5-4-20(27)18-22(21)26)28-24(30)19-7-16-31-17-8-19;/h4-5,18-19,23H,6-17H2,1-3H3,(H,28,30);1H/t23-;/m1./s1.
What are the key properties of N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen?
N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen has a molecular weight of 432.62 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen is sourced from PubChem (CID 158785617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).