5-fluoro-6-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one

C19H27FN4O3 — CID 167977761

IUPAC5-fluoro-6-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCC(C(=O)N3CCCC(C)C3)CC2)c(=O)c1F
InChIInChI=1S/C19H27FN4O3/c1-13-4-3-7-23(10-13)18(26)15-5-8-22(9-6-15)16(25)11-24-12-21-14(2)17(20)19(24)27/h12-13,15H,3-11H2,1-2H3
InChIKeyUDVXTMPRNTVRFC-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.19
Rot. Bonds3

About 5-fluoro-6-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one

5-fluoro-6-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 167977761) has the molecular formula C19H27FN4O3 and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-fluoro-6-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-fluoro-6-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one
PubChem CID167977761
Molecular FormulaC19H27FN4O3
Molecular Weight378.45 g/mol
Exact Mass378.21
IUPAC Name5-fluoro-6-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCc1ncn(CC(=O)N2CCC(C(=O)N3CCCC(C)C3)CC2)c(=O)c1F
InChIInChI=1S/C19H27FN4O3/c1-13-4-3-7-23(10-13)18(26)15-5-8-22(9-6-15)16(25)11-24-12-21-14(2)17(20)19(24)27/h12-13,15H,3-11H2,1-2H3
InChIKeyUDVXTMPRNTVRFC-UHFFFAOYSA-N
XLogP1.19
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 5-fluoro-6-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one (CID 167977761) is 5-fluoro-6-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 5-fluoro-6-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 5-fluoro-6-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one is Cc1ncn(CC(=O)N2CCC(C(=O)N3CCCC(C)C3)CC2)c(=O)c1F.
What is the InChIKey of 5-fluoro-6-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The InChIKey is UDVXTMPRNTVRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O3/c1-13-4-3-7-23(10-13)18(26)15-5-8-22(9-6-15)16(25)11-24-12-21-14(2)17(20)19(24)27/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 5-fluoro-6-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one?
5-fluoro-6-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one has a molecular weight of 378.45 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-3-[2-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 167977761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).