1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one

C18H28N4O2 — CID 126940910

IUPAC1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one
SMILESCc1cncn(CC2CCN(C3CCCCN(C)C3=O)CC2)c1=O
InChIInChI=1S/C18H28N4O2/c1-14-11-19-13-22(17(14)23)12-15-6-9-21(10-7-15)16-5-3-4-8-20(2)18(16)24/h11,13,15-16H,3-10,12H2,1-2H3
InChIKeyHIURUSZFNYSPJY-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.27
Rot. Bonds3

About 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one

1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one (PubChem CID 126940910) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one
PubChem CID126940910
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one
SMILESCc1cncn(CC2CCN(C3CCCCN(C)C3=O)CC2)c1=O
InChIInChI=1S/C18H28N4O2/c1-14-11-19-13-22(17(14)23)12-15-6-9-21(10-7-15)16-5-3-4-8-20(2)18(16)24/h11,13,15-16H,3-10,12H2,1-2H3
InChIKeyHIURUSZFNYSPJY-UHFFFAOYSA-N
XLogP1.27
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one with MolForge

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Related Compounds

1-Methyl-3-(4-{[6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-1-yl]methyl}piperidin-1-yl)azepan-2-one
CID 126943675
3-(4-{[4-(Difluoromethyl)-6-oxo-1,6-dihydropyrimidin-1-yl]methyl}piperidin-1-yl)-1-methylazepan-2-one
CID 126944092
5-Methyl-3-({1-[(1-methylpiperidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940723
3-({1-[2-(Azepan-1-yl)ethyl]piperidin-4-yl}methyl)-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940776
7-({4-[(5-Methyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidin-1-yl}methyl)azepan-2-one
CID 126940792
1-Methyl-7-({4-[(5-methyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidin-1-yl}methyl)azepan-2-one
CID 126940793
5-Methyl-3-({1-[(1-methyl-6-oxopiperidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940794
3-({1-[(1-Acetylpyrrolidin-2-yl)methyl]piperidin-4-yl}methyl)-5-methyl-3,4-dihydropyrimidin-4-one
CID 126940895
1-(2-{4-[(5-Methyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidin-1-yl}ethyl)azepan-2-one
CID 126940902
5-Methyl-3-({1-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940905
5-Methyl-3-({1-[2-oxo-1-(propan-2-yl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940908
3-{4-[(5-Methyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidin-1-yl}azepan-2-one
CID 126940909

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one?
The IUPAC name of 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one (CID 126940910) is 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one.
What is the SMILES notation for 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one?
The canonical SMILES for 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one is Cc1cncn(CC2CCN(C3CCCCN(C)C3=O)CC2)c1=O.
What is the InChIKey of 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one?
The InChIKey is HIURUSZFNYSPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-11-19-13-22(17(14)23)12-15-6-9-21(10-7-15)16-5-3-4-8-20(2)18(16)24/h11,13,15-16H,3-10,12H2,1-2H3.
What are the key properties of 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one?
1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one has a molecular weight of 332.45 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]azepan-2-one is sourced from PubChem (CID 126940910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).