4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide

C14H19FN4O2 — CID 63110197

IUPAC4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2ccc(F)cc2N)CC1
InChIInChI=1S/C14H19FN4O2/c1-2-17-14(21)19-7-5-18(6-8-19)13(20)11-4-3-10(15)9-12(11)16/h3-4,9H,2,5-8,16H2,1H3,(H,17,21)
InChIKeyBNWZQPSPEDWUIR-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.90
Rot. Bonds2

About 4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide

4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 63110197) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide
PubChem CID63110197
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC Name4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2ccc(F)cc2N)CC1
InChIInChI=1S/C14H19FN4O2/c1-2-17-14(21)19-7-5-18(6-8-19)13(20)11-4-3-10(15)9-12(11)16/h3-4,9H,2,5-8,16H2,1H3,(H,17,21)
InChIKeyBNWZQPSPEDWUIR-UHFFFAOYSA-N
XLogP0.90
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-amino-4-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 62074859
(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone
CID 55139020
4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812532
(2-amino-4-fluorophenyl)-(4-methylazepan-1-yl)methanone
CID 63627576
(2-amino-4-fluorophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313202
N-ethyl-4-(2-iodobenzoyl)piperazine-1-carboxamide
CID 47126280
1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 61110315
N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;molecular hydrogen
CID 143541774
4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 61139010
4-(2-bromofuran-3-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 106853377
N-(4-aminophenyl)-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide
CID 91022778
4-(3,5-dibromobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 103907498

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide (CID 63110197) is 4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)c2ccc(F)cc2N)CC1.
What is the InChIKey of 4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is BNWZQPSPEDWUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-2-17-14(21)19-7-5-18(6-8-19)13(20)11-4-3-10(15)9-12(11)16/h3-4,9H,2,5-8,16H2,1H3,(H,17,21).
What are the key properties of 4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide?
4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 63110197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).