5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one

C12H17N3O2 — CID 110856004

IUPAC5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCCC1CCCCN1C(=O)c1cnc[nH]c1=O
InChIInChI=1S/C12H17N3O2/c1-2-9-5-3-4-6-15(9)12(17)10-7-13-8-14-11(10)16/h7-9H,2-6H2,1H3,(H,13,14,16)
InChIKeySCLSWTQLKYDMPB-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.17
Rot. Bonds2

About 5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one

5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 110856004) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID110856004
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
SMILESCCC1CCCCN1C(=O)c1cnc[nH]c1=O
InChIInChI=1S/C12H17N3O2/c1-2-9-5-3-4-6-15(9)12(17)10-7-13-8-14-11(10)16/h7-9H,2-6H2,1H3,(H,13,14,16)
InChIKeySCLSWTQLKYDMPB-UHFFFAOYSA-N
XLogP1.17
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6,7,8,9-tetrahydro-6-methyl-4-oxo-
CID 118083
N-((1r,4r)-4-aminocyclohexyl)-4-hydroxypyrimidine-5-carboxamide
CID 132219876
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-4-hydroxypyrimidine-5-carboxamide
CID 132227790
N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-4-hydroxypyrimidine-5-carboxamide
CID 132228054
1,6-Dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 214583
5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 18935581
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 146193144
N-[2-(azepan-1-yl)ethyl]-6-oxo-N-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 50976814
N-methyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 56891064
5-({2-[2-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56914559
3-(2-Piperidin-2-ylethyl)pyrimidin-4-one
CID 63769530
5-Iodo-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66308863

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one (CID 110856004) is 5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one is CCC1CCCCN1C(=O)c1cnc[nH]c1=O.
What is the InChIKey of 5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is SCLSWTQLKYDMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-9-5-3-4-6-15(9)12(17)10-7-13-8-14-11(10)16/h7-9H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one?
5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 110856004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).