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

C26H40N2O2 — CID 58033761

IUPACN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide
SMILESCC(C)(C)CCN1CCC2(CC[C@H](NC(=O)C3CCOCC3)c3ccccc32)CC1
InChIInChI=1S/C26H40N2O2/c1-25(2,3)12-15-28-16-13-26(14-17-28)11-8-23(21-6-4-5-7-22(21)26)27-24(29)20-9-18-30-19-10-20/h4-7,20,23H,8-19H2,1-3H3,(H,27,29)/t23-/m0/s1
InChIKeyMGLUNBIQKQCCHS-QHCPKHFHSA-N
MW412.62 g/mol
LogP4.83
Rot. Bonds4

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

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide (PubChem CID 58033761) has the molecular formula C26H40N2O2 and a molecular weight of 412.62 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide
PubChem CID58033761
Molecular FormulaC26H40N2O2
Molecular Weight412.62 g/mol
Exact Mass412.31
IUPAC NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide
SMILESCC(C)(C)CCN1CCC2(CC[C@H](NC(=O)C3CCOCC3)c3ccccc32)CC1
InChIInChI=1S/C26H40N2O2/c1-25(2,3)12-15-28-16-13-26(14-17-28)11-8-23(21-6-4-5-7-22(21)26)27-24(29)20-9-18-30-19-10-20/h4-7,20,23H,8-19H2,1-3H3,(H,27,29)/t23-/m0/s1
InChIKeyMGLUNBIQKQCCHS-QHCPKHFHSA-N
XLogP4.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.62
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide?
The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide (CID 58033761) is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide is CC(C)(C)CCN1CCC2(CC[C@H](NC(=O)C3CCOCC3)c3ccccc32)CC1.
What is the InChIKey of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide?
The InChIKey is MGLUNBIQKQCCHS-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H40N2O2/c1-25(2,3)12-15-28-16-13-26(14-17-28)11-8-23(21-6-4-5-7-22(21)26)27-24(29)20-9-18-30-19-10-20/h4-7,20,23H,8-19H2,1-3H3,(H,27,29)/t23-/m0/s1.
What are the key properties of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide?
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide has a molecular weight of 412.62 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide is sourced from PubChem (CID 58033761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).