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

C18H26N4O3 — CID 70769103

IUPAC2-methyl-5-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCC(CCN3CCCC3=O)CC2)c(=O)[nH]1
InChIInChI=1S/C18H26N4O3/c1-13-19-12-15(18(25)20-13)11-17(24)22-9-5-14(6-10-22)4-8-21-7-2-3-16(21)23/h12,14H,2-11H2,1H3,(H,19,20,25)
InChIKeyLVQYQYMUACNFOV-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.87
Rot. Bonds5

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

2-methyl-5-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 70769103) 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-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID70769103
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-methyl-5-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCC(CCN3CCCC3=O)CC2)c(=O)[nH]1
InChIInChI=1S/C18H26N4O3/c1-13-19-12-15(18(25)20-13)11-17(24)22-9-5-14(6-10-22)4-8-21-7-2-3-16(21)23/h12,14H,2-11H2,1H3,(H,19,20,25)
InChIKeyLVQYQYMUACNFOV-UHFFFAOYSA-N
XLogP0.87
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-methyl-5-(2-oxo-2-{2-[2-(1-pyrrolidinyl)ethyl]-1-piperidinyl}ethyl)-4(3H)-pyrimidinone
CID 70711114
2-isopropyl-5-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 56872069
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-[6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-2-yl]pentyl]acetamide
CID 90841217
5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 90925807
ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940516
2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 143940523
2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940576
5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 169149103
2-(2-butyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide
CID 169664171
5-[2-(3,9-diazaspiro[5.5]undec-3-yl)-2-oxoethyl]-2-methyl-4(3H)-pyrimidinone hydrochloride
CID 56871392
2-methyl-5-{2-oxo-2-[4-(1-piperidinylcarbonyl)-1-piperidinyl]ethyl}-4(3H)-pyrimidinone
CID 56906487
5-{2-[(3R*,4S*)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-2-oxoethyl}-2-methylpyrimidin-4(3H)-one
CID 70765694

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidin-6-one (CID 70769103) is 2-methyl-5-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidin-6-one is Cc1ncc(CC(=O)N2CCC(CCN3CCCC3=O)CC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is LVQYQYMUACNFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-19-12-15(18(25)20-13)11-17(24)22-9-5-14(6-10-22)4-8-21-7-2-3-16(21)23/h12,14H,2-11H2,1H3,(H,19,20,25).
What are the key properties of 2-methyl-5-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidin-6-one?
2-methyl-5-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 346.43 g/mol, XLogP of 0.87, 5 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-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 70769103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).