4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide

C12H16FN3O2 — CID 47139754

IUPAC4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
SMILESCONC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C12H16FN3O2/c1-18-14-12(17)16-8-6-15(7-9-16)11-5-3-2-4-10(11)13/h2-5H,6-9H2,1H3,(H,14,17)
InChIKeyYUAOHXBCXNQOQQ-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.22
Rot. Bonds2

About 4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide

4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide (PubChem CID 47139754) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
PubChem CID47139754
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC Name4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
SMILESCONC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C12H16FN3O2/c1-18-14-12(17)16-8-6-15(7-9-16)11-5-3-2-4-10(11)13/h2-5H,6-9H2,1H3,(H,14,17)
InChIKeyYUAOHXBCXNQOQQ-UHFFFAOYSA-N
XLogP1.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 112683958
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate
CID 51074732
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide
CID 54936333
N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108867571
ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 3597509
4-(2-fluorophenyl)-N-(1,2-oxazol-5-yl)piperazine-1-carboxamide
CID 108814201
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504673

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide (CID 47139754) is 4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide is CONC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide?
The InChIKey is YUAOHXBCXNQOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c1-18-14-12(17)16-8-6-15(7-9-16)11-5-3-2-4-10(11)13/h2-5H,6-9H2,1H3,(H,14,17).
What are the key properties of 4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide?
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide is sourced from PubChem (CID 47139754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).