5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one

C14H21N3O2 — CID 90925807

IUPAC5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(CC(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C14H21N3O2/c1-10(2)13-15-9-11(14(19)16-13)8-12(18)17-6-4-3-5-7-17/h9-10H,3-8H2,1-2H3,(H,15,16,19)
InChIKeyFYNWEPLAVLSBIJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.45
Rot. Bonds3

About 5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one

5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 90925807) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID90925807
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(CC(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C14H21N3O2/c1-10(2)13-15-9-11(14(19)16-13)8-12(18)17-6-4-3-5-7-17/h9-10H,3-8H2,1-2H3,(H,15,16,19)
InChIKeyFYNWEPLAVLSBIJ-UHFFFAOYSA-N
XLogP1.45
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)propanal
CID 88027457
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
N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940488
ethane;2-methyl-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940516
2-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
CID 143940576
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940615
N-butyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;N,N-diethyl-2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide;ethane
CID 143940630
6-Piperidin-1-yl-2-propan-2-yl-3,5-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 147290637
2-(2-butyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dimethylacetamide
CID 169664171
8-Methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 170054699
3-Propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 171538616

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 90925807) is 5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1ncc(CC(=O)N2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FYNWEPLAVLSBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)13-15-9-11(14(19)16-13)8-12(18)17-6-4-3-5-7-17/h9-10H,3-8H2,1-2H3,(H,15,16,19).
What are the key properties of 5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one?
5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 90925807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).