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

C24H38N2O2 — CID 58033959

IUPACN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21
InChIInChI=1S/C24H38N2O2/c1-23(2,3)12-15-26-16-13-24(14-17-26)11-9-21(25-22(27)10-18-28-4)19-7-5-6-8-20(19)24/h5-8,21H,9-18H2,1-4H3,(H,25,27)/t21-/m0/s1
InChIKeyZVICZCJREMQWCR-NRFANRHFSA-N
MW386.58 g/mol
LogP4.44
Rot. Bonds6

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

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide (PubChem CID 58033959) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide
PubChem CID58033959
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC NameN-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21
InChIInChI=1S/C24H38N2O2/c1-23(2,3)12-15-26-16-13-24(14-17-26)11-9-21(25-22(27)10-18-28-4)19-7-5-6-8-20(19)24/h5-8,21H,9-18H2,1-4H3,(H,25,27)/t21-/m0/s1
InChIKeyZVICZCJREMQWCR-NRFANRHFSA-N
XLogP4.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.44
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]-3-methoxypropanamide?
The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide (CID 58033959) is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide is COCCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.
What is the InChIKey of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide?
The InChIKey is ZVICZCJREMQWCR-NRFANRHFSA-N. The full InChI is InChI=1S/C24H38N2O2/c1-23(2,3)12-15-26-16-13-24(14-17-26)11-9-21(25-22(27)10-18-28-4)19-7-5-6-8-20(19)24/h5-8,21H,9-18H2,1-4H3,(H,25,27)/t21-/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]-3-methoxypropanamide?
N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide has a molecular weight of 386.58 g/mol, XLogP of 4.44, 6 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]-3-methoxypropanamide is sourced from PubChem (CID 58033959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).