1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2-carboxamide

C13H18FN3O2 — CID 104792861

IUPAC1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2-carboxamide
SMILESCOc1cccc(CN2CCNCC2C(N)=O)c1F
InChIInChI=1S/C13H18FN3O2/c1-19-11-4-2-3-9(12(11)14)8-17-6-5-16-7-10(17)13(15)18/h2-4,10,16H,5-8H2,1H3,(H2,15,18)
InChIKeyWPCJLVMVPYHAJD-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.09
Rot. Bonds4

About 1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2-carboxamide

1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2-carboxamide (PubChem CID 104792861) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2-carboxamide
PubChem CID104792861
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2-carboxamide
SMILESCOc1cccc(CN2CCNCC2C(N)=O)c1F
InChIInChI=1S/C13H18FN3O2/c1-19-11-4-2-3-9(12(11)14)8-17-6-5-16-7-10(17)13(15)18/h2-4,10,16H,5-8H2,1H3,(H2,15,18)
InChIKeyWPCJLVMVPYHAJD-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

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Related Compounds

1-[(2-fluoro-4-methoxyphenyl)methyl]piperazine-2-carboxamide
CID 102877782
1-[(3-chloro-2-fluorophenyl)methyl]piperazine-2-carboxylic acid
CID 114488257
(2S)-1-[[2-[fluoro(diiodo)methyl]phenyl]methyl]piperazine-2-carboxamide
CID 170281869
1-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]piperazine-2-carboxamide
CID 59807423
1-[(6-methyl-2-pyridinyl)methyl]piperazine-2-carboxamide
CID 79261566
1-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 104792772
4-[(2-fluoro-3-methoxyphenyl)methyl]piperidine-2-carboxamide
CID 106781147
1-[(3-cyano-2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide
CID 107118999
(2R)-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 82755826
1-[(3-bromo-2,6-difluorophenyl)methyl]piperazine-2-carboxamide
CID 106264875
[(2S,4S)-1-[(2-fluoro-3-methoxyphenyl)methyl]-4-methoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 128980018
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide
CID 81133473

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2-carboxamide?
The IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2-carboxamide (CID 104792861) is 1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for 1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2-carboxamide?
The canonical SMILES for 1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2-carboxamide is COc1cccc(CN2CCNCC2C(N)=O)c1F.
What is the InChIKey of 1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2-carboxamide?
The InChIKey is WPCJLVMVPYHAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-19-11-4-2-3-9(12(11)14)8-17-6-5-16-7-10(17)13(15)18/h2-4,10,16H,5-8H2,1H3,(H2,15,18).
What are the key properties of 1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2-carboxamide?
1-[(2-fluoro-3-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-3-methoxyphenyl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 104792861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).