N-[[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide

C21H24F3N3O — CID 42516304

IUPACN-[[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESCc1cccc(CN2CCC[C@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)n1
InChIInChI=1S/C21H24F3N3O/c1-15-5-2-9-19(26-15)14-27-10-4-6-16(13-27)12-25-20(28)17-7-3-8-18(11-17)21(22,23)24/h2-3,5,7-9,11,16H,4,6,10,12-14H2,1H3,(H,25,28)/t16-/m1/s1
InChIKeyFUHKTLRGPYVSSV-MRXNPFEDSA-N
MW391.44 g/mol
LogP4.05
Rot. Bonds5

About N-[[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide

N-[[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide (PubChem CID 42516304) has the molecular formula C21H24F3N3O and a molecular weight of 391.44 g/mol. Its IUPAC name is N-[[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide
PubChem CID42516304
Molecular FormulaC21H24F3N3O
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC NameN-[[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide
SMILESCc1cccc(CN2CCC[C@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)n1
InChIInChI=1S/C21H24F3N3O/c1-15-5-2-9-19(26-15)14-27-10-4-6-16(13-27)12-25-20(28)17-7-3-8-18(11-17)21(22,23)24/h2-3,5,7-9,11,16H,4,6,10,12-14H2,1H3,(H,25,28)/t16-/m1/s1
InChIKeyFUHKTLRGPYVSSV-MRXNPFEDSA-N
XLogP4.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide (CID 42516304) is N-[[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide is Cc1cccc(CN2CCC[C@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)n1.
What is the InChIKey of N-[[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is FUHKTLRGPYVSSV-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24F3N3O/c1-15-5-2-9-19(26-15)14-27-10-4-6-16(13-27)12-25-20(28)17-7-3-8-18(11-17)21(22,23)24/h2-3,5,7-9,11,16H,4,6,10,12-14H2,1H3,(H,25,28)/t16-/m1/s1.
What are the key properties of N-[[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide?
N-[[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 391.44 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 42516304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).