3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide

C14H16F4N2O — CID 99849672

IUPAC3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@H]1CCCNC1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F4N2O/c15-12-5-10(4-11(6-12)14(16,17)18)13(21)20-8-9-2-1-3-19-7-9/h4-6,9,19H,1-3,7-8H2,(H,20,21)/t9-/m1/s1
InChIKeyVHDVWBKCYAEODQ-SECBINFHSA-N
MW304.29 g/mol
LogP2.57
Rot. Bonds3

About 3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide

3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide (PubChem CID 99849672) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
PubChem CID99849672
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@H]1CCCNC1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F4N2O/c15-12-5-10(4-11(6-12)14(16,17)18)13(21)20-8-9-2-1-3-19-7-9/h4-6,9,19H,1-3,7-8H2,(H,20,21)/t9-/m1/s1
InChIKeyVHDVWBKCYAEODQ-SECBINFHSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 119461836
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-bromo-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462396
N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride
CID 119462479
2-(4-fluorobenzoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119460024
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 123412557
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 44540145
5-fluoro-3-methyl-2-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119464062

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide (CID 99849672) is 3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide is O=C(NC[C@@H]1CCCNC1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide?
The InChIKey is VHDVWBKCYAEODQ-SECBINFHSA-N. The full InChI is InChI=1S/C14H16F4N2O/c15-12-5-10(4-11(6-12)14(16,17)18)13(21)20-8-9-2-1-3-19-7-9/h4-6,9,19H,1-3,7-8H2,(H,20,21)/t9-/m1/s1.
What are the key properties of 3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide?
3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide has a molecular weight of 304.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 99849672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).