4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one

C11H17N3O — CID 136957515

IUPAC4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H17N3O/c1-2-9-4-3-5-14(7-9)10-6-11(15)13-8-12-10/h6,8-9H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyZRLZZNDHRLEGJL-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.40
Rot. Bonds2

About 4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one

4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136957515) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136957515
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C11H17N3O/c1-2-9-4-3-5-14(7-9)10-6-11(15)13-8-12-10/h6,8-9H,2-5,7H2,1H3,(H,12,13,15)
InChIKeyZRLZZNDHRLEGJL-UHFFFAOYSA-N
XLogP1.40
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989738
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137008019
4-[3-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957980
4-(3-ethyl-4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136957880
(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914108
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136958068
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride
CID 139026681
4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137015715
4-(4-amino-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136978761
4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136987918
3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 137200016

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136957515) is 4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one is CCC1CCCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is ZRLZZNDHRLEGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-9-4-3-5-14(7-9)10-6-11(15)13-8-12-10/h6,8-9H,2-5,7H2,1H3,(H,12,13,15).
What are the key properties of 4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one?
4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).