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

C24H35FN2O — CID 24875457

IUPACN-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide
SMILESCC(C)(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccc(F)cc32)CC1
InChIInChI=1S/C24H35FN2O/c1-23(2,3)10-13-27-14-11-24(12-15-27)9-8-21(26-22(28)17-4-5-17)19-7-6-18(25)16-20(19)24/h6-7,16-17,21H,4-5,8-15H2,1-3H3,(H,26,28)/t21-/m0/s1
InChIKeyMWSUIEAJFXKRLS-NRFANRHFSA-N
MW386.56 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]cyclopropanecarboxamide

N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide (PubChem CID 24875457) has the molecular formula C24H35FN2O and a molecular weight of 386.56 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide
PubChem CID24875457
Molecular FormulaC24H35FN2O
Molecular Weight386.56 g/mol
Exact Mass386.27
IUPAC NameN-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide
SMILESCC(C)(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccc(F)cc32)CC1
InChIInChI=1S/C24H35FN2O/c1-23(2,3)10-13-27-14-11-24(12-15-27)9-8-21(26-22(28)17-4-5-17)19-7-6-18(25)16-20(19)24/h6-7,16-17,21H,4-5,8-15H2,1-3H3,(H,26,28)/t21-/m0/s1
InChIKeyMWSUIEAJFXKRLS-NRFANRHFSA-N
XLogP4.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]cyclopropanecarboxamide?
The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide (CID 24875457) is N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide is CC(C)(C)CCN1CCC2(CC[C@H](NC(=O)C3CC3)c3ccc(F)cc32)CC1.
What is the InChIKey of N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide?
The InChIKey is MWSUIEAJFXKRLS-NRFANRHFSA-N. The full InChI is InChI=1S/C24H35FN2O/c1-23(2,3)10-13-27-14-11-24(12-15-27)9-8-21(26-22(28)17-4-5-17)19-7-6-18(25)16-20(19)24/h6-7,16-17,21H,4-5,8-15H2,1-3H3,(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]cyclopropanecarboxamide?
N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]cyclopropanecarboxamide has a molecular weight of 386.56 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]cyclopropanecarboxamide is sourced from PubChem (CID 24875457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).