N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide

C14H17F3N2O2 — CID 54389521

IUPACN-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide
SMILESCO[C@H]1CNCC[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O2/c1-21-12-8-18-6-5-11(12)19-13(20)9-3-2-4-10(7-9)14(15,16)17/h2-4,7,11-12,18H,5-6,8H2,1H3,(H,19,20)/t11-,12-/m0/s1
InChIKeyVFQBBZIBDFKWBR-RYUDHWBXSA-N
MW302.30 g/mol
LogP1.81
Rot. Bonds3

About N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide

N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide (PubChem CID 54389521) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide
PubChem CID54389521
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide
SMILESCO[C@H]1CNCC[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O2/c1-21-12-8-18-6-5-11(12)19-13(20)9-3-2-4-10(7-9)14(15,16)17/h2-4,7,11-12,18H,5-6,8H2,1H3,(H,19,20)/t11-,12-/m0/s1
InChIKeyVFQBBZIBDFKWBR-RYUDHWBXSA-N
XLogP1.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 79886276
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
2-methoxy-N-[(3R,4S)-3-methoxypiperidin-4-yl]benzamide
CID 58025543
N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide
CID 103751525
N-[(4S)-4-methoxypyrrolidin-3-yl]naphthalene-2-carboxamide
CID 43594014
N-[2-[[(3S,4S)-4-hydroxypyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 59556091
N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 120557791
N-[2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-3-(trifluoromethyl)benzamide
CID 18426164
piperidin-4-yl 3-(trifluoromethyl)benzoate
CID 162771690
N-[(3S,4R)-3-methoxypiperidin-4-yl]-6-(tetrazol-1-yl)pyridine-3-carboxamide
CID 118459884

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide (CID 54389521) is N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide is CO[C@H]1CNCC[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is VFQBBZIBDFKWBR-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-21-12-8-18-6-5-11(12)19-13(20)9-3-2-4-10(7-9)14(15,16)17/h2-4,7,11-12,18H,5-6,8H2,1H3,(H,19,20)/t11-,12-/m0/s1.
What are the key properties of N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide?
N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 302.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 54389521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).