N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide

C15H16F6N2O2 — CID 77088762

IUPACN-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCC1(O)CCCNC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H16F6N2O2/c16-14(17,18)10-4-9(5-11(6-10)15(19,20)21)12(24)23-8-13(25)2-1-3-22-7-13/h4-6,22,25H,1-3,7-8H2,(H,23,24)
InChIKeyZWQWHVATYKBAAT-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.57
Rot. Bonds3

About N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide

N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 77088762) has the molecular formula C15H16F6N2O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID77088762
Molecular FormulaC15H16F6N2O2
Molecular Weight370.29 g/mol
Exact Mass370.11
IUPAC NameN-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCC1(O)CCCNC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H16F6N2O2/c16-14(17,18)10-4-9(5-11(6-10)15(19,20)21)12(24)23-8-13(25)2-1-3-22-7-13/h4-6,22,25H,1-3,7-8H2,(H,23,24)
InChIKeyZWQWHVATYKBAAT-UHFFFAOYSA-N
XLogP2.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)benzamide;hydrochloride
CID 154901624
N-[(3-hydroxypiperidin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 122572400
N-[[(4R)-4-hydroxyazepan-4-yl]methyl]-3,5-dimethylbenzamide
CID 95722997
3,4,5-trifluoro-N-[(3-hydroxyazetidin-3-yl)methyl]benzamide
CID 114189501
4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide
CID 125448120
N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-4-(propylsulfamoyl)benzamide
CID 124756680
N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 119461836
4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide
CID 126432956
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 129399312
3-chloro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]thiophene-2-carboxamide
CID 125444851
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfonylbenzamide
CID 114760745

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide (CID 77088762) is N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide is O=C(NCC1(O)CCCNC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is ZWQWHVATYKBAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F6N2O2/c16-14(17,18)10-4-9(5-11(6-10)15(19,20)21)12(24)23-8-13(25)2-1-3-22-7-13/h4-6,22,25H,1-3,7-8H2,(H,23,24).
What are the key properties of N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide?
N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 370.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypiperidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 77088762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).