N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide

C24H37FN2O2 — CID 58033770

IUPACN-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H37FN2O2/c1-23(2,3)10-13-27-14-11-24(12-15-27)9-7-21(26-22(28)8-16-29-4)19-6-5-18(25)17-20(19)24/h5-6,17,21H,7-16H2,1-4H3,(H,26,28)/t21-/m0/s1
InChIKeyBCRDNXNANNJPEB-NRFANRHFSA-N
MW404.57 g/mol
LogP4.58
Rot. Bonds6

About N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide

N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide (PubChem CID 58033770) has the molecular formula C24H37FN2O2 and a molecular weight of 404.57 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide
PubChem CID58033770
Molecular FormulaC24H37FN2O2
Molecular Weight404.57 g/mol
Exact Mass404.28
IUPAC NameN-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H37FN2O2/c1-23(2,3)10-13-27-14-11-24(12-15-27)9-7-21(26-22(28)8-16-29-4)19-6-5-18(25)17-20(19)24/h5-6,17,21H,7-16H2,1-4H3,(H,26,28)/t21-/m0/s1
InChIKeyBCRDNXNANNJPEB-NRFANRHFSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.57
LogP ≤ 54.58
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)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide?
The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide (CID 58033770) is N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[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)c2cc(F)ccc21.
What is the InChIKey of N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide?
The InChIKey is BCRDNXNANNJPEB-NRFANRHFSA-N. The full InChI is InChI=1S/C24H37FN2O2/c1-23(2,3)10-13-27-14-11-24(12-15-27)9-7-21(26-22(28)8-16-29-4)19-6-5-18(25)17-20(19)24/h5-6,17,21H,7-16H2,1-4H3,(H,26,28)/t21-/m0/s1.
What are the key properties of N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide?
N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide has a molecular weight of 404.57 g/mol, XLogP of 4.58, 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)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-3-methoxypropanamide is sourced from PubChem (CID 58033770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).