N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide

C17H24FN3O3 — CID 118764058

IUPACN-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O
InChIInChI=1S/C17H24FN3O3/c1-11-4-5-12(18)8-13(11)17(24)19-14-6-7-21(9-15(14)22)10-16(23)20(2)3/h4-5,8,14-15,22H,6-7,9-10H2,1-3H3,(H,19,24)/t14-,15-/m1/s1
InChIKeyQCTOTYXHJSFCEV-HUUCEWRRSA-N
MW337.40 g/mol
LogP0.39
Rot. Bonds4

About N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide

N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide (PubChem CID 118764058) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide
PubChem CID118764058
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC NameN-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O
InChIInChI=1S/C17H24FN3O3/c1-11-4-5-12(18)8-13(11)17(24)19-14-6-7-21(9-15(14)22)10-16(23)20(2)3/h4-5,8,14-15,22H,6-7,9-10H2,1-3H3,(H,19,24)/t14-,15-/m1/s1
InChIKeyQCTOTYXHJSFCEV-HUUCEWRRSA-N
XLogP0.39
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide
CID 134434493
ethane;5-fluoro-N-(3-hydroxy-1-methylpiperidin-4-yl)-2-methylbenzamide
CID 142326863
2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
CID 118784312
3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
CID 118787893
N-[1-(cyanomethyl)piperidin-4-yl]-5-fluoro-2-methylbenzamide
CID 63626427
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 118794013
2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 121495640
2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 118769079
5-fluoro-2-methyl-N-[(3S,4S)-4-methylpiperidin-3-yl]benzamide
CID 95401845
2-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 154807730
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide
CID 121499951
2-[4-(2-chloro-4-fluoroanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43773958

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide (CID 118764058) is N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)N[C@@H]1CCN(CC(=O)N(C)C)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide?
The InChIKey is QCTOTYXHJSFCEV-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-11-4-5-12(18)8-13(11)17(24)19-14-6-7-21(9-15(14)22)10-16(23)20(2)3/h4-5,8,14-15,22H,6-7,9-10H2,1-3H3,(H,19,24)/t14-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide?
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide has a molecular weight of 337.40 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 118764058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).