1,3-dimethyl-5-(piperidine-2-carbonyl)pyrimidine-2,4-dione

C12H17N3O3 — CID 64868300

IUPAC1,3-dimethyl-5-(piperidine-2-carbonyl)pyrimidine-2,4-dione
SMILESCn1cc(C(=O)C2CCCCN2)c(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O3/c1-14-7-8(11(17)15(2)12(14)18)10(16)9-5-3-4-6-13-9/h7,9,13H,3-6H2,1-2H3
InChIKeyLPHWCDKRPLTVJM-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.59
Rot. Bonds2

About 1,3-dimethyl-5-(piperidine-2-carbonyl)pyrimidine-2,4-dione

1,3-dimethyl-5-(piperidine-2-carbonyl)pyrimidine-2,4-dione (PubChem CID 64868300) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-(piperidine-2-carbonyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(piperidine-2-carbonyl)pyrimidine-2,4-dione
PubChem CID64868300
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1,3-dimethyl-5-(piperidine-2-carbonyl)pyrimidine-2,4-dione
SMILESCn1cc(C(=O)C2CCCCN2)c(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O3/c1-14-7-8(11(17)15(2)12(14)18)10(16)9-5-3-4-6-13-9/h7,9,13H,3-6H2,1-2H3
InChIKeyLPHWCDKRPLTVJM-UHFFFAOYSA-N
XLogP-0.59
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-2-yl-(2,4-dimethylphenyl)methanone
CID 116582486
(2-methylpyrazol-3-yl)-piperidin-2-ylmethanone
CID 116547731
azepan-2-yl-(2-methylthiophen-3-yl)methanone
CID 102839506
(4-methyl-3-pyridinyl)-piperidin-2-ylmethanone
CID 116547900
phenyl(piperidin-2-yl)methanone
CID 19772085
(3,5-dimethylphenyl)-piperidin-2-ylmethanone
CID 82285234
(2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone
CID 81473912
azepan-2-yl-(3-methylphenyl)methanone
CID 84683079
(2,6-dimethoxyphenyl)-piperidin-2-ylmethanone
CID 116811452
azepan-2-yl-(4-tert-butylphenyl)methanone
CID 70558460
5-(2,3-dihydro-1H-indene-5-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 43339138
(3-hydroxy-2,4-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 175936464

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(piperidine-2-carbonyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(piperidine-2-carbonyl)pyrimidine-2,4-dione (CID 64868300) is 1,3-dimethyl-5-(piperidine-2-carbonyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(piperidine-2-carbonyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(piperidine-2-carbonyl)pyrimidine-2,4-dione is Cn1cc(C(=O)C2CCCCN2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(piperidine-2-carbonyl)pyrimidine-2,4-dione?
The InChIKey is LPHWCDKRPLTVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-14-7-8(11(17)15(2)12(14)18)10(16)9-5-3-4-6-13-9/h7,9,13H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(piperidine-2-carbonyl)pyrimidine-2,4-dione?
1,3-dimethyl-5-(piperidine-2-carbonyl)pyrimidine-2,4-dione has a molecular weight of 251.29 g/mol, XLogP of -0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(piperidine-2-carbonyl)pyrimidine-2,4-dione is sourced from PubChem (CID 64868300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).