N-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

C19H27FN2O2 — CID 126447223

IUPACN-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCC[C@@H](NC(=O)N1CCCC2(CCOCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H27FN2O2/c1-2-17(15-4-6-16(20)7-5-15)21-18(23)22-11-3-8-19(14-22)9-12-24-13-10-19/h4-7,17H,2-3,8-14H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyMCYRWRGNGGKHCU-QGZVFWFLSA-N
MW334.43 g/mol
LogP3.88
Rot. Bonds3

About N-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide

N-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (PubChem CID 126447223) has the molecular formula C19H27FN2O2 and a molecular weight of 334.43 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
PubChem CID126447223
Molecular FormulaC19H27FN2O2
Molecular Weight334.43 g/mol
Exact Mass334.21
IUPAC NameN-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
SMILESCC[C@@H](NC(=O)N1CCCC2(CCOCC2)C1)c1ccc(F)cc1
InChIInChI=1S/C19H27FN2O2/c1-2-17(15-4-6-16(20)7-5-15)21-18(23)22-11-3-8-19(14-22)9-12-24-13-10-19/h4-7,17H,2-3,8-14H2,1H3,(H,21,23)/t17-/m1/s1
InChIKeyMCYRWRGNGGKHCU-QGZVFWFLSA-N
XLogP3.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)propyl]-3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 126431065
2-[1-(4-fluorophenyl)propylamino]-1-morpholin-4-ylbutan-1-one
CID 84588764
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-3,3-dimethyl-1,4-diazepane-1-carboxamide
CID 138006464
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 155949071
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128694848
N-[(1R)-1-(4-fluorophenyl)propyl]-2-(oxan-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 159160288
N-[1-(4-propan-2-yloxyphenyl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71990563
1-[[1-(4-fluorophenyl)-2-methoxyethyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 154782276
1-(4-fluorophenyl)-4-[(5R)-2-oxa-9-azaspiro[4.5]decan-9-yl]butane-1,4-dione
CID 97151104
1-(9-oxa-2-azaspiro[5.5]undecan-2-yl)-2-phenylsulfanylethanone
CID 91839939
N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 68626796
2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide (CID 126447223) is N-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is CC[C@@H](NC(=O)N1CCCC2(CCOCC2)C1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
The InChIKey is MCYRWRGNGGKHCU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-2-17(15-4-6-16(20)7-5-15)21-18(23)22-11-3-8-19(14-22)9-12-24-13-10-19/h4-7,17H,2-3,8-14H2,1H3,(H,21,23)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide?
N-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide has a molecular weight of 334.43 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)propyl]-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide is sourced from PubChem (CID 126447223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).