4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid

C16H20FN3O4 — CID 175819039

IUPAC4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid
SMILESO=C(N[C@@H]1CCOC1)c1ccc(N2CCN(C(=O)O)CC2)c(F)c1
InChIInChI=1S/C16H20FN3O4/c17-13-9-11(15(21)18-12-3-8-24-10-12)1-2-14(13)19-4-6-20(7-5-19)16(22)23/h1-2,9,12H,3-8,10H2,(H,18,21)(H,22,23)/t12-/m1/s1
InChIKeyIYHSFXCNEXOQKI-GFCCVEGCSA-N
MW337.35 g/mol
LogP1.14
Rot. Bonds3

About 4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid

4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid (PubChem CID 175819039) has the molecular formula C16H20FN3O4 and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid
PubChem CID175819039
Molecular FormulaC16H20FN3O4
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid
SMILESO=C(N[C@@H]1CCOC1)c1ccc(N2CCN(C(=O)O)CC2)c(F)c1
InChIInChI=1S/C16H20FN3O4/c17-13-9-11(15(21)18-12-3-8-24-10-12)1-2-14(13)19-4-6-20(7-5-19)16(22)23/h1-2,9,12H,3-8,10H2,(H,18,21)(H,22,23)/t12-/m1/s1
InChIKeyIYHSFXCNEXOQKI-GFCCVEGCSA-N
XLogP1.14
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(oxolan-3-yl)-4-piperazin-1-ylbenzamide
CID 166082493
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-fluorobenzoic acid
CID 176582674
4-hydroxy-N-(oxolan-3-yl)benzamide
CID 80713158
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(oxolan-3-yl)benzamide
CID 80712752
4-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
CID 61441707
2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
4-(2-fluoro-4-methylsulfinylphenyl)piperazine-1-carboxylic acid
CID 139465495
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
CID 28604177
3-bromo-N-(oxolan-3-yl)-4-(trifluoromethyl)benzamide
CID 176508175
N-(oxolan-3-yl)furan-3-carboxamide
CID 130743970
6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 171559656

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid (CID 175819039) is 4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid is O=C(N[C@@H]1CCOC1)c1ccc(N2CCN(C(=O)O)CC2)c(F)c1.
What is the InChIKey of 4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid?
The InChIKey is IYHSFXCNEXOQKI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20FN3O4/c17-13-9-11(15(21)18-12-3-8-24-10-12)1-2-14(13)19-4-6-20(7-5-19)16(22)23/h1-2,9,12H,3-8,10H2,(H,18,21)(H,22,23)/t12-/m1/s1.
What are the key properties of 4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid?
4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid has a molecular weight of 337.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-[[(3R)-oxolan-3-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 175819039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).