7-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one

C18H28N4O2 — CID 126940792

IUPAC7-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one
SMILESCc1cncn(CC2CCN(CC3CCCCC(=O)N3)CC2)c1=O
InChIInChI=1S/C18H28N4O2/c1-14-10-19-13-22(18(14)24)11-15-6-8-21(9-7-15)12-16-4-2-3-5-17(23)20-16/h10,13,15-16H,2-9,11-12H2,1H3,(H,20,23)
InChIKeyUNCXQMRWBBQAAC-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.32
Rot. Bonds4

About 7-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one

7-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one (PubChem CID 126940792) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 7-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one.

Molecular Properties

Compound Name7-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one
PubChem CID126940792
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name7-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one
SMILESCc1cncn(CC2CCN(CC3CCCCC(=O)N3)CC2)c1=O
InChIInChI=1S/C18H28N4O2/c1-14-10-19-13-22(18(14)24)11-15-6-8-21(9-7-15)12-16-4-2-3-5-17(23)20-16/h10,13,15-16H,2-9,11-12H2,1H3,(H,20,23)
InChIKeyUNCXQMRWBBQAAC-UHFFFAOYSA-N
XLogP1.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one with MolForge

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Related Compounds

7-[(4-{[4-(Difluoromethyl)-6-oxo-1,6-dihydropyrimidin-1-yl]methyl}piperidin-1-yl)methyl]azepan-2-one
CID 126943988
1-Methyl-4-[(6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72866658
1-Methyl-4-[(6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72934261
(6S)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97122087
(6R)-1-methyl-4-(6-oxo-1H-pyrimidine-5-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97122088
(6S)-1-methyl-4-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97153572
(6R)-1-methyl-4-[2-(6-oxo-1H-pyrimidin-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97153573
2-cyclohexyl-N-(2-(5-methyl-6-oxopyrimidin-1(6H)-yl)ethyl)acetamide
CID 121121016
N-(2-(5-methyl-6-oxopyrimidin-1(6H)-yl)ethyl)cyclohexanecarboxamide
CID 121121227
N-cycloheptyl-4-[(5-methyl-6-oxo-1,6-dihydropyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126940622
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-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126940795

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one?
The IUPAC name of 7-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one (CID 126940792) is 7-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one.
What is the SMILES notation for 7-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one?
The canonical SMILES for 7-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one is Cc1cncn(CC2CCN(CC3CCCCC(=O)N3)CC2)c1=O.
What is the InChIKey of 7-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one?
The InChIKey is UNCXQMRWBBQAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-10-19-13-22(18(14)24)11-15-6-8-21(9-7-15)12-16-4-2-3-5-17(23)20-16/h10,13,15-16H,2-9,11-12H2,1H3,(H,20,23).
What are the key properties of 7-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one?
7-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one has a molecular weight of 332.45 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[(5-methyl-6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]methyl]azepan-2-one is sourced from PubChem (CID 126940792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).