2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one

C18H26N4O3 — CID 56906487

IUPAC2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCC(C(=O)N3CCCCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C18H26N4O3/c1-13-19-12-15(17(24)20-13)11-16(23)21-9-5-14(6-10-21)18(25)22-7-3-2-4-8-22/h12,14H,2-11H2,1H3,(H,19,20,24)
InChIKeyBKEVOFVQSSPTDU-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.87
Rot. Bonds3

About 2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one

2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 56906487) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID56906487
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCC(C(=O)N3CCCCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C18H26N4O3/c1-13-19-12-15(17(24)20-13)11-16(23)21-9-5-14(6-10-21)18(25)22-7-3-2-4-8-22/h12,14H,2-11H2,1H3,(H,19,20,24)
InChIKeyBKEVOFVQSSPTDU-UHFFFAOYSA-N
XLogP0.87
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
5-[2-[(3R,4R)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 72898008
(3R,4R)-4-cyclopropyl-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 133112153
2-methyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72877968
5-[2-[(3R)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 95216679
2-methyl-5-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]-1H-pyrimidin-6-one
CID 74223793
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4,5-trimethylphenyl)ethanone
CID 110806605
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2,4,5-trimethylphenyl)ethanone
CID 110803893
2-(2-bromophenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002935
2-methyl-4-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]phthalazin-1-one
CID 55379468
2-(4-piperidin-1-ylsulfonylphenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 55469023

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one (CID 56906487) is 2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one is Cc1ncc(CC(=O)N2CCC(C(=O)N3CCCCC3)CC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is BKEVOFVQSSPTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-19-12-15(17(24)20-13)11-16(23)21-9-5-14(6-10-21)18(25)22-7-3-2-4-8-22/h12,14H,2-11H2,1H3,(H,19,20,24).
What are the key properties of 2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 346.43 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 56906487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).