3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide

C17H23F2N3O4 — CID 118787893

IUPAC3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
SMILESCN(C)C(=O)CN1CC[C@@H](NC(=O)c2cccc(OC(F)F)c2)[C@H](O)C1
InChIInChI=1S/C17H23F2N3O4/c1-21(2)15(24)10-22-7-6-13(14(23)9-22)20-16(25)11-4-3-5-12(8-11)26-17(18)19/h3-5,8,13-14,17,23H,6-7,9-10H2,1-2H3,(H,20,25)/t13-,14-/m1/s1
InChIKeyJPRFHBLJUIZDOI-ZIAGYGMSSA-N
MW371.38 g/mol
LogP0.54
Rot. Bonds6

About 3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide

3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide (PubChem CID 118787893) has the molecular formula C17H23F2N3O4 and a molecular weight of 371.38 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
PubChem CID118787893
Molecular FormulaC17H23F2N3O4
Molecular Weight371.38 g/mol
Exact Mass371.17
IUPAC Name3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
SMILESCN(C)C(=O)CN1CC[C@@H](NC(=O)c2cccc(OC(F)F)c2)[C@H](O)C1
InChIInChI=1S/C17H23F2N3O4/c1-21(2)15(24)10-22-7-6-13(14(23)9-22)20-16(25)11-4-3-5-12(8-11)26-17(18)19/h3-5,8,13-14,17,23H,6-7,9-10H2,1-2H3,(H,20,25)/t13-,14-/m1/s1
InChIKeyJPRFHBLJUIZDOI-ZIAGYGMSSA-N
XLogP0.54
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
CID 118784312
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide
CID 118764058
3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 91834182
3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 51537876
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 118794013
3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187379
2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 118769079
3-(difluoromethoxy)-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]benzamide
CID 91776698
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide
CID 121499951
3-(difluoromethoxy)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 18109657
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(difluoromethoxy)benzamide;hydrochloride
CID 119455893

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide (CID 118787893) is 3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide is CN(C)C(=O)CN1CC[C@@H](NC(=O)c2cccc(OC(F)F)c2)[C@H](O)C1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide?
The InChIKey is JPRFHBLJUIZDOI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H23F2N3O4/c1-21(2)15(24)10-22-7-6-13(14(23)9-22)20-16(25)11-4-3-5-12(8-11)26-17(18)19/h3-5,8,13-14,17,23H,6-7,9-10H2,1-2H3,(H,20,25)/t13-,14-/m1/s1.
What are the key properties of 3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide?
3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide has a molecular weight of 371.38 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide is sourced from PubChem (CID 118787893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).