5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one

C14H23F2N3O3 — CID 126820763

IUPAC5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one
SMILESCC1(C(=O)N2CCN(CC(F)(F)CO)CC2)CCC(=O)NC1
InChIInChI=1S/C14H23F2N3O3/c1-13(3-2-11(21)17-8-13)12(22)19-6-4-18(5-7-19)9-14(15,16)10-20/h20H,2-10H2,1H3,(H,17,21)
InChIKeyMAKLXKWRHNIVAE-UHFFFAOYSA-N
MW319.35 g/mol
LogP-0.33
Rot. Bonds4

About 5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one

5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one (PubChem CID 126820763) has the molecular formula C14H23F2N3O3 and a molecular weight of 319.35 g/mol. Its IUPAC name is 5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one
PubChem CID126820763
Molecular FormulaC14H23F2N3O3
Molecular Weight319.35 g/mol
Exact Mass319.17
IUPAC Name5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one
SMILESCC1(C(=O)N2CCN(CC(F)(F)CO)CC2)CCC(=O)NC1
InChIInChI=1S/C14H23F2N3O3/c1-13(3-2-11(21)17-8-13)12(22)19-6-4-18(5-7-19)9-14(15,16)10-20/h20H,2-10H2,1H3,(H,17,21)
InChIKeyMAKLXKWRHNIVAE-UHFFFAOYSA-N
XLogP-0.33
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[[4-(3-methyl-6-oxopiperidine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 119037559
(5R)-5-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]-5-methylpiperidin-2-one
CID 124885234
5-(6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-5-methylpiperidin-2-one
CID 126807250
(4-ethylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138776
1-[4-(2,2-difluoro-3-hydroxypropyl)piperazin-1-yl]-2-methyl-3-methylsulfanylpropan-1-one
CID 126834572
5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one
CID 167786993
(5R)-5-(hydroxymethyl)-5-methylpiperidin-2-one
CID 125181047
1-[4-(2,2-difluoro-3-hydroxypropyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 126834571
1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,4-diazepan-5-one
CID 55227834
[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]-[(3S)-3-methylpyrrolidin-3-yl]methanone
CID 124694222
5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one
CID 126830384
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119826732

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one?
The IUPAC name of 5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one (CID 126820763) is 5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one.
What is the SMILES notation for 5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one?
The canonical SMILES for 5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one is CC1(C(=O)N2CCN(CC(F)(F)CO)CC2)CCC(=O)NC1.
What is the InChIKey of 5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one?
The InChIKey is MAKLXKWRHNIVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3O3/c1-13(3-2-11(21)17-8-13)12(22)19-6-4-18(5-7-19)9-14(15,16)10-20/h20H,2-10H2,1H3,(H,17,21).
What are the key properties of 5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one?
5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one has a molecular weight of 319.35 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2-difluoro-3-hydroxypropyl)piperazine-1-carbonyl]-5-methylpiperidin-2-one is sourced from PubChem (CID 126820763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).