N-[[4-fluoro-1-(3-methylbutyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide

C18H31FN2O — CID 71256368

IUPACN-[[4-fluoro-1-(3-methylbutyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide
SMILESCC(C)CCN1CCC(F)(CNC(=O)C2=CCCCC2)CC1
InChIInChI=1S/C18H31FN2O/c1-15(2)8-11-21-12-9-18(19,10-13-21)14-20-17(22)16-6-4-3-5-7-16/h6,15H,3-5,7-14H2,1-2H3,(H,20,22)
InChIKeyFNDBCHXYDBQCCC-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.45
Rot. Bonds6

About N-[[4-fluoro-1-(3-methylbutyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide

N-[[4-fluoro-1-(3-methylbutyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide (PubChem CID 71256368) has the molecular formula C18H31FN2O and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[[4-fluoro-1-(3-methylbutyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-(3-methylbutyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide
PubChem CID71256368
Molecular FormulaC18H31FN2O
Molecular Weight310.46 g/mol
Exact Mass310.24
IUPAC NameN-[[4-fluoro-1-(3-methylbutyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide
SMILESCC(C)CCN1CCC(F)(CNC(=O)C2=CCCCC2)CC1
InChIInChI=1S/C18H31FN2O/c1-15(2)8-11-21-12-9-18(19,10-13-21)14-20-17(22)16-6-4-3-5-7-16/h6,15H,3-5,7-14H2,1-2H3,(H,20,22)
InChIKeyFNDBCHXYDBQCCC-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexen-1-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 178322477
Hexahydroisoquinolone
CID 67217713
6-fluoro-N-(2-piperidin-1-ylethyl)-4-propan-2-ylcyclohexa-1,3-diene-1-carboxamide
CID 164112082
2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71983936
3-piperidin-3-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 114489796
3-piperidin-3-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114489837
3-[1-(1-cyclohexen-1-ylcarbonyl)-4-piperidinyl]-N-cyclopropylpropanamide
CID 26402973
4-prop-1-en-2-yl-N-propylcyclohexene-1-carboxamide
CID 10443013
Cyclohexen-1-yl(piperazin-1-yl)methanone
CID 21183979
3-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyridin-2-one
CID 22973382
N-methyl-4-piperidin-4-ylcyclohexene-1-carboxamide
CID 68083020
N-ethyl-4-prop-1-en-2-ylcyclohexene-1-carboxamide
CID 69866011

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(3-methylbutyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide?
The IUPAC name of N-[[4-fluoro-1-(3-methylbutyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide (CID 71256368) is N-[[4-fluoro-1-(3-methylbutyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide.
What is the SMILES notation for N-[[4-fluoro-1-(3-methylbutyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide?
The canonical SMILES for N-[[4-fluoro-1-(3-methylbutyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide is CC(C)CCN1CCC(F)(CNC(=O)C2=CCCCC2)CC1.
What is the InChIKey of N-[[4-fluoro-1-(3-methylbutyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide?
The InChIKey is FNDBCHXYDBQCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31FN2O/c1-15(2)8-11-21-12-9-18(19,10-13-21)14-20-17(22)16-6-4-3-5-7-16/h6,15H,3-5,7-14H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-fluoro-1-(3-methylbutyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide?
N-[[4-fluoro-1-(3-methylbutyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide has a molecular weight of 310.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(3-methylbutyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide is sourced from PubChem (CID 71256368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).