N-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide

C22H32F2N2O — CID 24876006

IUPACN-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2C2(CCN(CCC(C)(C)C)CC2)CC1(F)F
InChIInChI=1S/C22H32F2N2O/c1-16(27)25-19-17-7-5-6-8-18(17)21(15-22(19,23)24)10-13-26(14-11-21)12-9-20(2,3)4/h5-8,19H,9-15H2,1-4H3,(H,25,27)/t19-/m1/s1
InChIKeyZLVZSAXEIORJJC-LJQANCHMSA-N
MW378.51 g/mol
LogP4.67
Rot. Bonds3

About N-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide

N-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide (PubChem CID 24876006) has the molecular formula C22H32F2N2O and a molecular weight of 378.51 g/mol. Its IUPAC name is N-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide
PubChem CID24876006
Molecular FormulaC22H32F2N2O
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC NameN-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)N[C@@H]1c2ccccc2C2(CCN(CCC(C)(C)C)CC2)CC1(F)F
InChIInChI=1S/C22H32F2N2O/c1-16(27)25-19-17-7-5-6-8-18(17)21(15-22(19,23)24)10-13-26(14-11-21)12-9-20(2,3)4/h5-8,19H,9-15H2,1-4H3,(H,25,27)/t19-/m1/s1
InChIKeyZLVZSAXEIORJJC-LJQANCHMSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide (CID 24876006) is N-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide is CC(=O)N[C@@H]1c2ccccc2C2(CCN(CCC(C)(C)C)CC2)CC1(F)F.
What is the InChIKey of N-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide?
The InChIKey is ZLVZSAXEIORJJC-LJQANCHMSA-N. The full InChI is InChI=1S/C22H32F2N2O/c1-16(27)25-19-17-7-5-6-8-18(17)21(15-22(19,23)24)10-13-26(14-11-21)12-9-20(2,3)4/h5-8,19H,9-15H2,1-4H3,(H,25,27)/t19-/m1/s1.
What are the key properties of N-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide?
N-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide has a molecular weight of 378.51 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1'-(3,3-dimethylbutyl)-2,2-difluorospiro[1,3-dihydronaphthalene-4,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 24876006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).