2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one

C11H19N3O — CID 90089791

IUPAC2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCCC1=NC(C2CCNCC2)CC(=O)N1
InChIInChI=1S/C11H19N3O/c1-2-10-13-9(7-11(15)14-10)8-3-5-12-6-4-8/h8-9,12H,2-7H2,1H3,(H,13,14,15)
InChIKeyIXHLJTMFADETBQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.68
Rot. Bonds2

About 2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one

2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 90089791) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID90089791
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCCC1=NC(C2CCNCC2)CC(=O)N1
InChIInChI=1S/C11H19N3O/c1-2-10-13-9(7-11(15)14-10)8-3-5-12-6-4-8/h8-9,12H,2-7H2,1H3,(H,13,14,15)
InChIKeyIXHLJTMFADETBQ-UHFFFAOYSA-N
XLogP0.68
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one
CID 20666330
2-methyl-5-piperidin-4-yl-1H-pyrimidine-4,6-dione
CID 59505089
(4aR,7aS)-2-propan-2-yl-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one
CID 90089642
2-Ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one
CID 90089683
4-methyl-2-pentan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 123410253
N-(1-amino-2-methylpropylidene)piperidine-3-carboxamide
CID 123586564
2-[2-[1-[2-(5-Methyliminopyrrolidin-2-yl)acetyl]piperidin-4-yl]ethyl]guanidine
CID 137192530
2-[2-[1-[2-(5-Methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine
CID 137298090
N-(C-ethyl-N-methylcarbonimidoyl)-2-piperidin-4-ylacetamide
CID 163585117
(3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide
CID 166914999
2-piperidin-2-yl-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one
CID 5245798
2-(1-piperazin-1-ylethyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76175609

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one (CID 90089791) is 2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one is CCC1=NC(C2CCNCC2)CC(=O)N1.
What is the InChIKey of 2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is IXHLJTMFADETBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-10-13-9(7-11(15)14-10)8-3-5-12-6-4-8/h8-9,12H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one?
2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 209.29 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 90089791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).