1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

C20H25FN4O3 — CID 53107357

IUPAC1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCn1c(N2CCCC(C(=O)NCc3ccc(F)cc3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C20H25FN4O3/c1-3-25-17(11-18(26)23(2)20(25)28)24-10-4-5-15(13-24)19(27)22-12-14-6-8-16(21)9-7-14/h6-9,11,15H,3-5,10,12-13H2,1-2H3,(H,22,27)
InChIKeyNKNZQCSHBVLHID-UHFFFAOYSA-N
MW388.44 g/mol
LogP1.24
Rot. Bonds5

About 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 53107357) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID53107357
Molecular FormulaC20H25FN4O3
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC Name1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCCn1c(N2CCCC(C(=O)NCc3ccc(F)cc3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C20H25FN4O3/c1-3-25-17(11-18(26)23(2)20(25)28)24-10-4-5-15(13-24)19(27)22-12-14-6-8-16(21)9-7-14/h6-9,11,15H,3-5,10,12-13H2,1-2H3,(H,22,27)
InChIKeyNKNZQCSHBVLHID-UHFFFAOYSA-N
XLogP1.24
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 53107357) is 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is CCn1c(N2CCCC(C(=O)NCc3ccc(F)cc3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is NKNZQCSHBVLHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3/c1-3-25-17(11-18(26)23(2)20(25)28)24-10-4-5-15(13-24)19(27)22-12-14-6-8-16(21)9-7-14/h6-9,11,15H,3-5,10,12-13H2,1-2H3,(H,22,27).
What are the key properties of 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53107357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).