2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide

C14H17F3N2O2 — CID 67303342

IUPAC2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1OC[C@@H]1CCCNC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-3-4-12(11(6-10)13(18)20)21-8-9-2-1-5-19-7-9/h3-4,6,9,19H,1-2,5,7-8H2,(H2,18,20)/t9-/m1/s1
InChIKeyAAYHYDWJFWCWEN-SECBINFHSA-N
MW302.30 g/mol
LogP2.18
Rot. Bonds4

About 2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide

2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide (PubChem CID 67303342) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
PubChem CID67303342
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1OC[C@@H]1CCCNC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-3-4-12(11(6-10)13(18)20)21-8-9-2-1-5-19-7-9/h3-4,6,9,19H,1-2,5,7-8H2,(H2,18,20)/t9-/m1/s1
InChIKeyAAYHYDWJFWCWEN-SECBINFHSA-N
XLogP2.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline
CID 117095791
2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 66323053
2-(cyclohexylmethoxy)-5-(trifluoromethyl)benzenecarbothioamide
CID 63520358
3-bromo-4-(piperidin-3-ylmethoxy)benzamide
CID 82801075
3-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 115512109
2-(cyclopropylmethoxy)-5-(trifluoromethyl)benzoic acid
CID 55107907
2-[[(3S)-morpholin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 68717489
2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
CID 66323058
4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid
CID 117053837
2-chloro-4-(piperidin-3-ylmethoxy)benzamide
CID 62944251
piperidin-3-ylmethyl N-[4-(trifluoromethyl)phenyl]carbamate
CID 79344499
ethyl 2-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830906

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide (CID 67303342) is 2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)ccc1OC[C@@H]1CCCNC1.
What is the InChIKey of 2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide?
The InChIKey is AAYHYDWJFWCWEN-SECBINFHSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)10-3-4-12(11(6-10)13(18)20)21-8-9-2-1-5-19-7-9/h3-4,6,9,19H,1-2,5,7-8H2,(H2,18,20)/t9-/m1/s1.
What are the key properties of 2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide?
2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide has a molecular weight of 302.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 67303342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).