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

C23H35FN2O — CID 24875818

IUPACN-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide
SMILESCCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H35FN2O/c1-5-21(27)25-20-8-9-23(19-16-17(24)6-7-18(19)20)11-14-26(15-12-23)13-10-22(2,3)4/h6-7,16,20H,5,8-15H2,1-4H3,(H,25,27)/t20-/m0/s1
InChIKeyWBGKGGMMGLIJDK-FQEVSTJZSA-N
MW374.54 g/mol
LogP4.96
Rot. Bonds4

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

N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide (PubChem CID 24875818) has the molecular formula C23H35FN2O and a molecular weight of 374.54 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide
PubChem CID24875818
Molecular FormulaC23H35FN2O
Molecular Weight374.54 g/mol
Exact Mass374.27
IUPAC NameN-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide
SMILESCCC(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H35FN2O/c1-5-21(27)25-20-8-9-23(19-16-17(24)6-7-18(19)20)11-14-26(15-12-23)13-10-22(2,3)4/h6-7,16,20H,5,8-15H2,1-4H3,(H,25,27)/t20-/m0/s1
InChIKeyWBGKGGMMGLIJDK-FQEVSTJZSA-N
XLogP4.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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]propanamide?
The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide (CID 24875818) is N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide.
What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide?
The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide is CCC(=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]propanamide?
The InChIKey is WBGKGGMMGLIJDK-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H35FN2O/c1-5-21(27)25-20-8-9-23(19-16-17(24)6-7-18(19)20)11-14-26(15-12-23)13-10-22(2,3)4/h6-7,16,20H,5,8-15H2,1-4H3,(H,25,27)/t20-/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]propanamide?
N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide has a molecular weight of 374.54 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 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]propanamide is sourced from PubChem (CID 24875818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).