3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide

C16H20ClFN2O3 — CID 132777230

IUPAC3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide
SMILESCNC(=O)CCC1(O)CCCN(C(=O)c2cccc(F)c2Cl)C1
InChIInChI=1S/C16H20ClFN2O3/c1-19-13(21)6-8-16(23)7-3-9-20(10-16)15(22)11-4-2-5-12(18)14(11)17/h2,4-5,23H,3,6-10H2,1H3,(H,19,21)
InChIKeyLZVGDZVGRRGDFJ-UHFFFAOYSA-N
MW342.80 g/mol
LogP1.97
Rot. Bonds4

About 3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide

3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide (PubChem CID 132777230) has the molecular formula C16H20ClFN2O3 and a molecular weight of 342.80 g/mol. Its IUPAC name is 3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide
PubChem CID132777230
Molecular FormulaC16H20ClFN2O3
Molecular Weight342.80 g/mol
Exact Mass342.11
IUPAC Name3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide
SMILESCNC(=O)CCC1(O)CCCN(C(=O)c2cccc(F)c2Cl)C1
InChIInChI=1S/C16H20ClFN2O3/c1-19-13(21)6-8-16(23)7-3-9-20(10-16)15(22)11-4-2-5-12(18)14(11)17/h2,4-5,23H,3,6-10H2,1H3,(H,19,21)
InChIKeyLZVGDZVGRRGDFJ-UHFFFAOYSA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 70744529
(3-fluoro-2-methoxyphenyl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56905075
1-(2-chloro-3-fluorobenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 81454925
[3-(azepan-1-ylmethyl)-3-hydroxypiperidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 154816582
3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide
CID 132776844
3-[3-hydroxy-1-[2-(2-methylimidazol-1-yl)acetyl]piperidin-3-yl]-N-methylpropanamide
CID 132948187
1-(2-chloro-3-fluorobenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 81454562
(2-chloro-3-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 81461895
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-chloro-3-fluorophenyl)methanone
CID 120814331
2-[4-(2-chloro-3-fluorobenzoyl)piperazin-1-yl]acetic acid
CID 81454330
3-[3-methoxy-1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-N-methylpropanamide
CID 132948438
(2-chloro-3-fluorophenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 81461505

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide?
The IUPAC name of 3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide (CID 132777230) is 3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide?
The canonical SMILES for 3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide is CNC(=O)CCC1(O)CCCN(C(=O)c2cccc(F)c2Cl)C1.
What is the InChIKey of 3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide?
The InChIKey is LZVGDZVGRRGDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O3/c1-19-13(21)6-8-16(23)7-3-9-20(10-16)15(22)11-4-2-5-12(18)14(11)17/h2,4-5,23H,3,6-10H2,1H3,(H,19,21).
What are the key properties of 3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide?
3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide has a molecular weight of 342.80 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide is sourced from PubChem (CID 132777230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).