N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide

C15H16F6N2O — CID 119461836

IUPACN-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCC1CCCNC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H16F6N2O/c16-14(17,18)11-4-10(5-12(6-11)15(19,20)21)13(24)23-8-9-2-1-3-22-7-9/h4-6,9,22H,1-3,7-8H2,(H,23,24)
InChIKeyHGQHBFCDAZJFCN-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.45
Rot. Bonds3

About N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide

N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 119461836) has the molecular formula C15H16F6N2O and a molecular weight of 354.29 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID119461836
Molecular FormulaC15H16F6N2O
Molecular Weight354.29 g/mol
Exact Mass354.12
IUPAC NameN-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCC1CCCNC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H16F6N2O/c16-14(17,18)11-4-10(5-12(6-11)15(19,20)21)13(24)23-8-9-2-1-3-22-7-9/h4-6,9,22H,1-3,7-8H2,(H,23,24)
InChIKeyHGQHBFCDAZJFCN-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide (CID 119461836) is N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide is O=C(NCC1CCCNC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is HGQHBFCDAZJFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F6N2O/c16-14(17,18)11-4-10(5-12(6-11)15(19,20)21)13(24)23-8-9-2-1-3-22-7-9/h4-6,9,22H,1-3,7-8H2,(H,23,24).
What are the key properties of N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide?
N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 354.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 119461836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).