ethyl 4-[[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]amino]piperidine-1-carboxylate

C19H21FN4O4 — CID 110332249

IUPACethyl 4-[[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(-c3ccc(F)cc3)nc(=O)[nH]2)CC1
InChIInChI=1S/C19H21FN4O4/c1-2-28-19(27)24-9-7-14(8-10-24)21-17(25)16-11-15(22-18(26)23-16)12-3-5-13(20)6-4-12/h3-6,11,14H,2,7-10H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyXFPGYLFEYDPZJP-UHFFFAOYSA-N
MW388.40 g/mol
LogP1.93
Rot. Bonds4

About ethyl 4-[[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 110332249) has the molecular formula C19H21FN4O4 and a molecular weight of 388.40 g/mol. Its IUPAC name is ethyl 4-[[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]amino]piperidine-1-carboxylate
PubChem CID110332249
Molecular FormulaC19H21FN4O4
Molecular Weight388.40 g/mol
Exact Mass388.15
IUPAC Nameethyl 4-[[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cc(-c3ccc(F)cc3)nc(=O)[nH]2)CC1
InChIInChI=1S/C19H21FN4O4/c1-2-28-19(27)24-9-7-14(8-10-24)21-17(25)16-11-15(22-18(26)23-16)12-3-5-13(20)6-4-12/h3-6,11,14H,2,7-10H2,1H3,(H,21,25)(H,22,23,26)
InChIKeyXFPGYLFEYDPZJP-UHFFFAOYSA-N
XLogP1.93
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]amino]piperidine-1-carboxylate (CID 110332249) is ethyl 4-[[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cc(-c3ccc(F)cc3)nc(=O)[nH]2)CC1.
What is the InChIKey of ethyl 4-[[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is XFPGYLFEYDPZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O4/c1-2-28-19(27)24-9-7-14(8-10-24)21-17(25)16-11-15(22-18(26)23-16)12-3-5-13(20)6-4-12/h3-6,11,14H,2,7-10H2,1H3,(H,21,25)(H,22,23,26).
What are the key properties of ethyl 4-[[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 388.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110332249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).