1-(2-carbamoyl-3-fluorophenyl)-N-ethylpiperazine-2-carboxamide

C14H19FN4O2 — CID 79515950

IUPAC1-(2-carbamoyl-3-fluorophenyl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1cccc(F)c1C(N)=O
InChIInChI=1S/C14H19FN4O2/c1-2-18-14(21)11-8-17-6-7-19(11)10-5-3-4-9(15)12(10)13(16)20/h3-5,11,17H,2,6-8H2,1H3,(H2,16,20)(H,18,21)
InChIKeyVDBNPRLAKKVVKK-UHFFFAOYSA-N
MW294.33 g/mol
LogP-0.16
Rot. Bonds4

About 1-(2-carbamoyl-3-fluorophenyl)-N-ethylpiperazine-2-carboxamide

1-(2-carbamoyl-3-fluorophenyl)-N-ethylpiperazine-2-carboxamide (PubChem CID 79515950) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-(2-carbamoyl-3-fluorophenyl)-N-ethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(2-carbamoyl-3-fluorophenyl)-N-ethylpiperazine-2-carboxamide
PubChem CID79515950
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC Name1-(2-carbamoyl-3-fluorophenyl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1c1cccc(F)c1C(N)=O
InChIInChI=1S/C14H19FN4O2/c1-2-18-14(21)11-8-17-6-7-19(11)10-5-3-4-9(15)12(10)13(16)20/h3-5,11,17H,2,6-8H2,1H3,(H2,16,20)(H,18,21)
InChIKeyVDBNPRLAKKVVKK-UHFFFAOYSA-N
XLogP-0.16
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 83106693
1-(2-carbamoyl-3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 79513371
2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide
CID 79523125
1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide
CID 107990513
1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
CID 115355359
2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide
CID 79523206
1-(5,6-dimethyl-1,2,4-triazin-3-yl)-N-ethylpiperazine-2-carboxamide
CID 114787143
2-[4-(1-aminoethyl)piperidin-1-yl]-6-fluorobenzamide
CID 79522708
2-(2-ethyl-3-oxopiperazin-1-yl)-6-fluorobenzenecarbothioamide
CID 79519495
N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide
CID 114600957
1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
CID 115975420
N-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperazine-2-carboxamide
CID 115973484

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoyl-3-fluorophenyl)-N-ethylpiperazine-2-carboxamide?
The IUPAC name of 1-(2-carbamoyl-3-fluorophenyl)-N-ethylpiperazine-2-carboxamide (CID 79515950) is 1-(2-carbamoyl-3-fluorophenyl)-N-ethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(2-carbamoyl-3-fluorophenyl)-N-ethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(2-carbamoyl-3-fluorophenyl)-N-ethylpiperazine-2-carboxamide is CCNC(=O)C1CNCCN1c1cccc(F)c1C(N)=O.
What is the InChIKey of 1-(2-carbamoyl-3-fluorophenyl)-N-ethylpiperazine-2-carboxamide?
The InChIKey is VDBNPRLAKKVVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-2-18-14(21)11-8-17-6-7-19(11)10-5-3-4-9(15)12(10)13(16)20/h3-5,11,17H,2,6-8H2,1H3,(H2,16,20)(H,18,21).
What are the key properties of 1-(2-carbamoyl-3-fluorophenyl)-N-ethylpiperazine-2-carboxamide?
1-(2-carbamoyl-3-fluorophenyl)-N-ethylpiperazine-2-carboxamide has a molecular weight of 294.33 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamoyl-3-fluorophenyl)-N-ethylpiperazine-2-carboxamide is sourced from PubChem (CID 79515950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).