3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide

C16H22ClFN2O2 — CID 132776844

IUPAC3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide
SMILESCNC(=O)CCC1(O)CCCN(Cc2ccc(F)cc2Cl)C1
InChIInChI=1S/C16H22ClFN2O2/c1-19-15(21)5-7-16(22)6-2-8-20(11-16)10-12-3-4-13(18)9-14(12)17/h3-4,9,22H,2,5-8,10-11H2,1H3,(H,19,21)
InChIKeyHDBIWJMSZYJLHU-UHFFFAOYSA-N
MW328.81 g/mol
LogP2.33
Rot. Bonds5

About 3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide

3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide (PubChem CID 132776844) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.81 g/mol. Its IUPAC name is 3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide
PubChem CID132776844
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.81 g/mol
Exact Mass328.14
IUPAC Name3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide
SMILESCNC(=O)CCC1(O)CCCN(Cc2ccc(F)cc2Cl)C1
InChIInChI=1S/C16H22ClFN2O2/c1-19-15(21)5-7-16(22)6-2-8-20(11-16)10-12-3-4-13(18)9-14(12)17/h3-4,9,22H,2,5-8,10-11H2,1H3,(H,19,21)
InChIKeyHDBIWJMSZYJLHU-UHFFFAOYSA-N
XLogP2.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97115465
3-[1-(2-chloro-3-fluorobenzoyl)-3-hydroxypiperidin-3-yl]-N-methylpropanamide
CID 132777230
2-[(2-chloro-4-fluorophenyl)methylamino]-N-methylacetamide
CID 43214947
1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964608
N-tert-butyl-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 51199670
1-[(2-chloro-5-fluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 102616840
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 37385902
(1-aminocyclopentyl)-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119853344
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 22194491
1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775728
1-[2-[(2-chloro-4-fluorophenyl)methyl-methylamino]ethyl]cyclopentan-1-ol
CID 77090783
3-chloro-4-[(3,3-dimethylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 102666268

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide?
The IUPAC name of 3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide (CID 132776844) is 3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide?
The canonical SMILES for 3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide is CNC(=O)CCC1(O)CCCN(Cc2ccc(F)cc2Cl)C1.
What is the InChIKey of 3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide?
The InChIKey is HDBIWJMSZYJLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O2/c1-19-15(21)5-7-16(22)6-2-8-20(11-16)10-12-3-4-13(18)9-14(12)17/h3-4,9,22H,2,5-8,10-11H2,1H3,(H,19,21).
What are the key properties of 3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide?
3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide has a molecular weight of 328.81 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidin-3-yl]-N-methylpropanamide is sourced from PubChem (CID 132776844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).