N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide

C19H23FN4O3 — CID 154831123

IUPACN-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
SMILESCn1cc(N2CCC(NC(=O)Cc3ccc(F)cc3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C19H23FN4O3/c1-22-12-16(18(26)23(2)19(22)27)24-9-7-15(8-10-24)21-17(25)11-13-3-5-14(20)6-4-13/h3-6,12,15H,7-11H2,1-2H3,(H,21,25)
InChIKeyVDQWTQMNVLMQON-UHFFFAOYSA-N
MW374.42 g/mol
LogP0.55
Rot. Bonds4

About N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide

N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 154831123) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
PubChem CID154831123
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
SMILESCn1cc(N2CCC(NC(=O)Cc3ccc(F)cc3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C19H23FN4O3/c1-22-12-16(18(26)23(2)19(22)27)24-9-7-15(8-10-24)21-17(25)11-13-3-5-14(20)6-4-13/h3-6,12,15H,7-11H2,1-2H3,(H,21,25)
InChIKeyVDQWTQMNVLMQON-UHFFFAOYSA-N
XLogP0.55
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide (CID 154831123) is N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide is Cn1cc(N2CCC(NC(=O)Cc3ccc(F)cc3)CC2)c(=O)n(C)c1=O.
What is the InChIKey of N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is VDQWTQMNVLMQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-22-12-16(18(26)23(2)19(22)27)24-9-7-15(8-10-24)21-17(25)11-13-3-5-14(20)6-4-13/h3-6,12,15H,7-11H2,1-2H3,(H,21,25).
What are the key properties of N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide?
N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 374.42 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 154831123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).