4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide

C20H24FN5O2 — CID 55590669

IUPAC4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1ccccn1
InChIInChI=1S/C20H24FN5O2/c1-15(18-4-2-3-9-22-18)23-20(28)26-12-10-25(11-13-26)14-19(27)24-17-7-5-16(21)6-8-17/h2-9,15H,10-14H2,1H3,(H,23,28)(H,24,27)
InChIKeyIGRXOPZZNIGHTA-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.25
Rot. Bonds5

About 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide

4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide (PubChem CID 55590669) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
PubChem CID55590669
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1ccccn1
InChIInChI=1S/C20H24FN5O2/c1-15(18-4-2-3-9-22-18)23-20(28)26-12-10-25(11-13-26)14-19(27)24-17-7-5-16(21)6-8-17/h2-9,15H,10-14H2,1H3,(H,23,28)(H,24,27)
InChIKeyIGRXOPZZNIGHTA-UHFFFAOYSA-N
XLogP2.25
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669
2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407274
4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 146123535
N-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 92635901
N-(4-fluorophenyl)-2-[4-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8719254
N-(4-fluorophenyl)-2-[4-[(1S,2R)-2-methylcyclopropanecarbonyl]piperazin-1-yl]acetamide
CID 9021895
(2S)-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9435992
4-methyl-N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113223974
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 166605704
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 94054984
N-(4-fluorophenyl)-2-oxo-1-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]pyridine-3-carboxamide
CID 92635470
4-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-pyridin-2-ylpiperazine-1-carboxamide
CID 166410262

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide (CID 55590669) is 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide is CC(NC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)c1ccccn1.
What is the InChIKey of 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide?
The InChIKey is IGRXOPZZNIGHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-15(18-4-2-3-9-22-18)23-20(28)26-12-10-25(11-13-26)14-19(27)24-17-7-5-16(21)6-8-17/h2-9,15H,10-14H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide?
4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 55590669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).