(2R)-1-[4-[4-fluoro-3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-hydroxypropan-1-one

C16H21FN2O4 — CID 97330717

IUPAC(2R)-1-[4-[4-fluoro-3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-hydroxypropan-1-one
SMILESCOCc1cc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)ccc1F
InChIInChI=1S/C16H21FN2O4/c1-11(20)15(21)18-5-7-19(8-6-18)16(22)12-3-4-14(17)13(9-12)10-23-2/h3-4,9,11,20H,5-8,10H2,1-2H3/t11-/m1/s1
InChIKeyZGLARBKBVNOSLN-LLVKDONJSA-N
MW324.35 g/mol
LogP0.64
Rot. Bonds4

About (2R)-1-[4-[4-fluoro-3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-hydroxypropan-1-one

(2R)-1-[4-[4-fluoro-3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-hydroxypropan-1-one (PubChem CID 97330717) has the molecular formula C16H21FN2O4 and a molecular weight of 324.35 g/mol. Its IUPAC name is (2R)-1-[4-[4-fluoro-3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-[4-fluoro-3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-hydroxypropan-1-one
PubChem CID97330717
Molecular FormulaC16H21FN2O4
Molecular Weight324.35 g/mol
Exact Mass324.15
IUPAC Name(2R)-1-[4-[4-fluoro-3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-hydroxypropan-1-one
SMILESCOCc1cc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)ccc1F
InChIInChI=1S/C16H21FN2O4/c1-11(20)15(21)18-5-7-19(8-6-18)16(22)12-3-4-14(17)13(9-12)10-23-2/h3-4,9,11,20H,5-8,10H2,1-2H3/t11-/m1/s1
InChIKeyZGLARBKBVNOSLN-LLVKDONJSA-N
XLogP0.64
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[4-fluoro-3-(methoxymethyl)phenyl]methanone
CID 124589244
[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]-piperazin-1-ylmethanone
CID 119401463
[(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone
CID 119410772
[(3R)-3-aminopyrrolidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride
CID 119410771
1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one
CID 59165599
2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110365423
[2-(aminomethyl)piperidin-1-yl]-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone
CID 119467493
1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one
CID 110800287
1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 86926716
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(2-fluorophenyl)-2-methylpropan-1-one
CID 110352215
N-[2-methoxy-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110800272
3,9-diazabicyclo[4.2.1]nonan-3-yl-[4-fluoro-3-(2-methoxyethoxymethyl)phenyl]methanone;hydrochloride
CID 119636598

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[4-fluoro-3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-hydroxypropan-1-one?
The IUPAC name of (2R)-1-[4-[4-fluoro-3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-hydroxypropan-1-one (CID 97330717) is (2R)-1-[4-[4-fluoro-3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for (2R)-1-[4-[4-fluoro-3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-hydroxypropan-1-one?
The canonical SMILES for (2R)-1-[4-[4-fluoro-3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-hydroxypropan-1-one is COCc1cc(C(=O)N2CCN(C(=O)[C@@H](C)O)CC2)ccc1F.
What is the InChIKey of (2R)-1-[4-[4-fluoro-3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is ZGLARBKBVNOSLN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21FN2O4/c1-11(20)15(21)18-5-7-19(8-6-18)16(22)12-3-4-14(17)13(9-12)10-23-2/h3-4,9,11,20H,5-8,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (2R)-1-[4-[4-fluoro-3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-hydroxypropan-1-one?
(2R)-1-[4-[4-fluoro-3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 324.35 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[4-fluoro-3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 97330717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).