7-[[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one

C17H26N4O2 — CID 126944889

IUPAC7-[[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one
SMILESO=C1CCCCC(CN2CCC(Cn3cnccc3=O)CC2)N1
InChIInChI=1S/C17H26N4O2/c22-16-4-2-1-3-15(19-16)12-20-9-6-14(7-10-20)11-21-13-18-8-5-17(21)23/h5,8,13-15H,1-4,6-7,9-12H2,(H,19,22)
InChIKeyMAIGFIOHWJDFML-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.01
Rot. Bonds4

About 7-[[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one

7-[[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one (PubChem CID 126944889) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 7-[[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one.

Molecular Properties

Compound Name7-[[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one
PubChem CID126944889
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name7-[[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one
SMILESO=C1CCCCC(CN2CCC(Cn3cnccc3=O)CC2)N1
InChIInChI=1S/C17H26N4O2/c22-16-4-2-1-3-15(19-16)12-20-9-6-14(7-10-20)11-21-13-18-8-5-17(21)23/h5,8,13-15H,1-4,6-7,9-12H2,(H,19,22)
InChIKeyMAIGFIOHWJDFML-UHFFFAOYSA-N
XLogP1.01
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one with MolForge

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Related Compounds

7-[(4-{[6-Oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-1-yl]methyl}piperidin-1-yl)methyl]azepan-2-one
CID 126943547
7-[(4-{[4-(Difluoromethyl)-6-oxo-1,6-dihydropyrimidin-1-yl]methyl}piperidin-1-yl)methyl]azepan-2-one
CID 126943988
N-(2-(6-oxopyrimidin-1(6H)-yl)ethyl)cyclohexanecarboxamide
CID 121121545
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
3-{4-[(5-Methyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidin-1-yl}azepan-2-one
CID 126940909
7-({4-[(4,5-Dimethyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidin-1-yl}methyl)azepan-2-one
CID 126941256
7-({4-[(4-Cyclopropyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidin-1-yl}methyl)azepan-2-one
CID 126941726
7-[(4-{[6-Oxo-4-(propan-2-yl)-1,6-dihydropyrimidin-1-yl]methyl}piperidin-1-yl)methyl]azepan-2-one
CID 126942199
7-({4-[(4-Tert-butyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidin-1-yl}methyl)azepan-2-one
CID 126944439
N-cycloheptyl-4-[(6-oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126944735
1-Methyl-7-({4-[(6-oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidin-1-yl}methyl)azepan-2-one
CID 126944890

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one?
The IUPAC name of 7-[[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one (CID 126944889) is 7-[[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one.
What is the SMILES notation for 7-[[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one?
The canonical SMILES for 7-[[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one is O=C1CCCCC(CN2CCC(Cn3cnccc3=O)CC2)N1.
What is the InChIKey of 7-[[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one?
The InChIKey is MAIGFIOHWJDFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-16-4-2-1-3-15(19-16)12-20-9-6-14(7-10-20)11-21-13-18-8-5-17(21)23/h5,8,13-15H,1-4,6-7,9-12H2,(H,19,22).
What are the key properties of 7-[[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one?
7-[[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one has a molecular weight of 318.42 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one is sourced from PubChem (CID 126944889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).