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

C16H21Cl2N3O3 — CID 118784312

IUPAC2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
SMILESCN(C)C(=O)CN1CC[C@@H](NC(=O)c2cccc(Cl)c2Cl)[C@H](O)C1
InChIInChI=1S/C16H21Cl2N3O3/c1-20(2)14(23)9-21-7-6-12(13(22)8-21)19-16(24)10-4-3-5-11(17)15(10)18/h3-5,12-13,22H,6-9H2,1-2H3,(H,19,24)/t12-,13-/m1/s1
InChIKeyXFTVAIOAUJTPFN-CHWSQXEVSA-N
MW374.27 g/mol
LogP1.25
Rot. Bonds4

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

2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide (PubChem CID 118784312) has the molecular formula C16H21Cl2N3O3 and a molecular weight of 374.27 g/mol. Its IUPAC name is 2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
PubChem CID118784312
Molecular FormulaC16H21Cl2N3O3
Molecular Weight374.27 g/mol
Exact Mass373.10
IUPAC Name2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
SMILESCN(C)C(=O)CN1CC[C@@H](NC(=O)c2cccc(Cl)c2Cl)[C@H](O)C1
InChIInChI=1S/C16H21Cl2N3O3/c1-20(2)14(23)9-21-7-6-12(13(22)8-21)19-16(24)10-4-3-5-11(17)15(10)18/h3-5,12-13,22H,6-9H2,1-2H3,(H,19,24)/t12-,13-/m1/s1
InChIKeyXFTVAIOAUJTPFN-CHWSQXEVSA-N
XLogP1.25
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide
CID 118764058
3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
CID 118787893
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)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 118769079
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide
CID 121499951
2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 121495640
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 118764876
2-[4-(2-chloro-6-methylanilino)piperidin-1-yl]-N,N-dimethylacetamide
CID 66251667
2,3-dichloro-N-(2-chlorocyclopentyl)benzamide
CID 106443948
2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813494
[2-[(1-benzyl-3-hydroxypiperidin-4-yl)carbamoyl]phenyl] acetate
CID 67914564
2,3-dichloro-N-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]benzamide
CID 166287246

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide (CID 118784312) is 2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide is CN(C)C(=O)CN1CC[C@@H](NC(=O)c2cccc(Cl)c2Cl)[C@H](O)C1.
What is the InChIKey of 2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide?
The InChIKey is XFTVAIOAUJTPFN-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H21Cl2N3O3/c1-20(2)14(23)9-21-7-6-12(13(22)8-21)19-16(24)10-4-3-5-11(17)15(10)18/h3-5,12-13,22H,6-9H2,1-2H3,(H,19,24)/t12-,13-/m1/s1.
What are the key properties of 2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide?
2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide has a molecular weight of 374.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide is sourced from PubChem (CID 118784312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).