1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide

C13H18FN3O2 — CID 102877782

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide
SMILESCOc1ccc(CN2CCNCC2C(N)=O)c(F)c1
InChIInChI=1S/C13H18FN3O2/c1-19-10-3-2-9(11(14)6-10)8-17-5-4-16-7-12(17)13(15)18/h2-3,6,12,16H,4-5,7-8H2,1H3,(H2,15,18)
InChIKeyMYWAOKOJTYLIPC-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.09
Rot. Bonds4

About 1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide

1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide (PubChem CID 102877782) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide
PubChem CID102877782
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide
SMILESCOc1ccc(CN2CCNCC2C(N)=O)c(F)c1
InChIInChI=1S/C13H18FN3O2/c1-19-10-3-2-9(11(14)6-10)8-17-5-4-16-7-12(17)13(15)18/h2-3,6,12,16H,4-5,7-8H2,1H3,(H2,15,18)
InChIKeyMYWAOKOJTYLIPC-UHFFFAOYSA-N
XLogP0.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide 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

1-[(2-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperazine-2-carboxamide
CID 102877786
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-propan-2-ylpiperazine
CID 102879474
2-cyclopropyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine
CID 102879475
1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2-carboxamide
CID 104792861
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methylpropyl)piperazine
CID 102879490
1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine-2-carbothioamide
CID 102876775
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide
CID 81133473
1-[(3-bromo-2,6-difluorophenyl)methyl]piperazine-2-carboxamide
CID 106264875
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072262
(2S)-1-[[2-[fluoro(diiodo)methyl]phenyl]methyl]piperazine-2-carboxamide
CID 170281869
1-[[4-(difluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 115524644
2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxyethyl)acetamide
CID 56899622

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide (CID 102877782) is 1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide is COc1ccc(CN2CCNCC2C(N)=O)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide?
The InChIKey is MYWAOKOJTYLIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-19-10-3-2-9(11(14)6-10)8-17-5-4-16-7-12(17)13(15)18/h2-3,6,12,16H,4-5,7-8H2,1H3,(H2,15,18).
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide?
1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 102877782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).