N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide

C18H25FN2O — CID 166001097

IUPACN-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide
SMILESO=C(NC1CCCCC1)c1cccc(C2CCNCC2)c1F
InChIInChI=1S/C18H25FN2O/c19-17-15(13-9-11-20-12-10-13)7-4-8-16(17)18(22)21-14-5-2-1-3-6-14/h4,7-8,13-14,20H,1-3,5-6,9-12H2,(H,21,22)
InChIKeyKJJJRPWJJJBSKT-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.36
Rot. Bonds3

About N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide

N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide (PubChem CID 166001097) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide
PubChem CID166001097
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC NameN-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide
SMILESO=C(NC1CCCCC1)c1cccc(C2CCNCC2)c1F
InChIInChI=1S/C18H25FN2O/c19-17-15(13-9-11-20-12-10-13)7-4-8-16(17)18(22)21-14-5-2-1-3-6-14/h4,7-8,13-14,20H,1-3,5-6,9-12H2,(H,21,22)
InChIKeyKJJJRPWJJJBSKT-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-piperidin-4-ylbenzamide;hydrochloride
CID 170456891
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
1-(2-fluoro-3-piperidin-4-ylphenyl)ethanone
CID 57448055
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
N-(azepan-3-yl)-3-bromo-2-fluorobenzamide
CID 107956133
3-chloro-2-fluoro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 81265233
N-cyclobutyl-2-fluoro-3-methylbenzamide
CID 80712137
2-chloro-N-cycloheptylbenzamide;pyrrolidine
CID 143233402
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
N-cyclohexyl-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614463
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-cyclopropyl-2-fluorobenzamide
CID 176576220

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide?
The IUPAC name of N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide (CID 166001097) is N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide.
What is the SMILES notation for N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide?
The canonical SMILES for N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide is O=C(NC1CCCCC1)c1cccc(C2CCNCC2)c1F.
What is the InChIKey of N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide?
The InChIKey is KJJJRPWJJJBSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c19-17-15(13-9-11-20-12-10-13)7-4-8-16(17)18(22)21-14-5-2-1-3-6-14/h4,7-8,13-14,20H,1-3,5-6,9-12H2,(H,21,22).
What are the key properties of N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide?
N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide has a molecular weight of 304.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-fluoro-3-piperidin-4-ylbenzamide is sourced from PubChem (CID 166001097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).