ethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate

C19H22FN3O4 — CID 5310115

IUPACethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC1
InChIInChI=1S/C19H22FN3O4/c1-2-27-18(25)14-7-9-22(10-8-14)16-11-17(24)23(19(26)21-16)12-13-3-5-15(20)6-4-13/h3-6,11,14H,2,7-10,12H2,1H3,(H,21,26)
InChIKeyVPIKAVXWXDAGII-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.50
Rot. Bonds5

About ethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate

ethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate (PubChem CID 5310115) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is ethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate
PubChem CID5310115
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Nameethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC1
InChIInChI=1S/C19H22FN3O4/c1-2-27-18(25)14-7-9-22(10-8-14)16-11-17(24)23(19(26)21-16)12-13-3-5-15(20)6-4-13/h3-6,11,14H,2,7-10,12H2,1H3,(H,21,26)
InChIKeyVPIKAVXWXDAGII-UHFFFAOYSA-N
XLogP1.50
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate (CID 5310115) is ethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC1.
What is the InChIKey of ethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate?
The InChIKey is VPIKAVXWXDAGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-2-27-18(25)14-7-9-22(10-8-14)16-11-17(24)23(19(26)21-16)12-13-3-5-15(20)6-4-13/h3-6,11,14H,2,7-10,12H2,1H3,(H,21,26).
What are the key properties of ethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate?
ethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate has a molecular weight of 375.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-yl]piperidine-4-carboxylate is sourced from PubChem (CID 5310115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).