4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid

C16H16F2N4O3 — CID 22248809

IUPAC4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccnc(OCc3cc(F)cc(F)c3)n2)CC1
InChIInChI=1S/C16H16F2N4O3/c17-12-7-11(8-13(18)9-12)10-25-15-19-2-1-14(20-15)21-3-5-22(6-4-21)16(23)24/h1-2,7-9H,3-6,10H2,(H,23,24)
InChIKeySXBFCJKAYIKIJT-UHFFFAOYSA-N
MW350.33 g/mol
LogP2.13
Rot. Bonds4

About 4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid

4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid (PubChem CID 22248809) has the molecular formula C16H16F2N4O3 and a molecular weight of 350.33 g/mol. Its IUPAC name is 4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid
PubChem CID22248809
Molecular FormulaC16H16F2N4O3
Molecular Weight350.33 g/mol
Exact Mass350.12
IUPAC Name4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccnc(OCc3cc(F)cc(F)c3)n2)CC1
InChIInChI=1S/C16H16F2N4O3/c17-12-7-11(8-13(18)9-12)10-25-15-19-2-1-14(20-15)21-3-5-22(6-4-21)16(23)24/h1-2,7-9H,3-6,10H2,(H,23,24)
InChIKeySXBFCJKAYIKIJT-UHFFFAOYSA-N
XLogP2.13
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-hydroxyquinolin-2-yl)piperazine-1-carboxylic acid
CID 174713975
4-[(3,5-difluorophenyl)methoxy]benzoic acid
CID 112694437
4-[(3,5-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63886141
4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid
CID 91502477
1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
CID 122318923
N-(3-fluorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56923346
(4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 84588350
4-[[4-[(4-fluorophenyl)methoxymethyl]phenyl]methyl]piperazine-1-carboxylic acid
CID 67327205
3-(4-methoxyphenyl)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 71996669
4-[4-(pyridin-4-ylmethoxy)-1,2,5-thiadiazol-3-yl]piperazine-1-carboxylic acid
CID 69493078
2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 119877691
[3-(5-fluoro-3-pyridinyl)-3,4-dihydropyrazol-2-yl]-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]methanone
CID 146237518

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid (CID 22248809) is 4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid is O=C(O)N1CCN(c2ccnc(OCc3cc(F)cc(F)c3)n2)CC1.
What is the InChIKey of 4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid?
The InChIKey is SXBFCJKAYIKIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O3/c17-12-7-11(8-13(18)9-12)10-25-15-19-2-1-14(20-15)21-3-5-22(6-4-21)16(23)24/h1-2,7-9H,3-6,10H2,(H,23,24).
What are the key properties of 4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid?
4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid has a molecular weight of 350.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,5-difluorophenyl)methoxy]pyrimidin-4-yl]piperazine-1-carboxylic acid is sourced from PubChem (CID 22248809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).