N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C18H23FN2O2 — CID 71971684

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)N1CCC2(CCOC2)C1
InChIInChI=1S/C18H23FN2O2/c19-15-3-1-14(2-4-15)18(5-6-18)11-20-16(22)21-9-7-17(12-21)8-10-23-13-17/h1-4H,5-13H2,(H,20,22)
InChIKeyLPXATHBMMKKDBL-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.68
Rot. Bonds3

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 71971684) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID71971684
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)N1CCC2(CCOC2)C1
InChIInChI=1S/C18H23FN2O2/c19-15-3-1-14(2-4-15)18(5-6-18)11-20-16(22)21-9-7-17(12-21)8-10-23-13-17/h1-4H,5-13H2,(H,20,22)
InChIKeyLPXATHBMMKKDBL-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71868397
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71971667
N-(4-fluorobenzyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 91910495
2-Acetyl-N~8~-(4-fluorobenzyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91922157
N-({2-[2-(3-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]dec-4-yl}methyl)-1-pyrrolidinecarboxamide
CID 124072084
4-(methoxymethyl)-N-phenethyl-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 91922025
2-Acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91922154
1-[2-(3,4-Difluorophenyl)-2-methylcyclopropyl]-3-[(2,2-dimethyloxolan-3-yl)methyl]urea
CID 136552543
1-[2-(2,3-difluorophenyl)ethyl]-3-[(2S)-6-oxaspiro[2.5]octan-2-yl]urea
CID 164632938
1-[2-[[(3R)-3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one
CID 28310215
1-[2-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methylamino]ethyl]imidazolidin-2-one
CID 28310217
1-[2-({[3-(3-Fluorophenyl)tetrahydro-3-furanyl]methyl}amino)ethyl]-2-imidazolidinone
CID 45173361

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 71971684) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is O=C(NCC1(c2ccc(F)cc2)CC1)N1CCC2(CCOC2)C1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is LPXATHBMMKKDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-15-3-1-14(2-4-15)18(5-6-18)11-20-16(22)21-9-7-17(12-21)8-10-23-13-17/h1-4H,5-13H2,(H,20,22).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 71971684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).