6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C14H21N3O3 — CID 51386615

IUPAC6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC[C@H]1CC(C)(C)CCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-4-9-8-14(2,3)5-6-17(9)12(19)10-7-11(18)16-13(20)15-10/h7,9H,4-6,8H2,1-3H3,(H2,15,16,18,20)/t9-/m0/s1
InChIKeyPDPQNTYTKNKLMQ-VIFPVBQESA-N
MW279.34 g/mol
LogP1.10
Rot. Bonds2

About 6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 51386615) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID51386615
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESCC[C@H]1CC(C)(C)CCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-4-9-8-14(2,3)5-6-17(9)12(19)10-7-11(18)16-13(20)15-10/h7,9H,4-6,8H2,1-3H3,(H2,15,16,18,20)/t9-/m0/s1
InChIKeyPDPQNTYTKNKLMQ-VIFPVBQESA-N
XLogP1.10
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-piperidinylcarbonyl)-2,4(1H,3H)-pyrimidinedione
CID 1241072
5-(4,4-dimethyl-2-propylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
CID 3154244
6-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 4976612
6-(2-ethyl-4,4-dimethylpiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 6618800
5-[(2S)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 1085047
5-[(2R)-4,4-dimethyl-2-propylpiperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 1085048
6-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione
CID 1508807
6-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl]-1H-pyrimidine-2,4-dione
CID 1508808
N-Cyclohexyl-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinecarboxamide
CID 17381709
N-[(3R)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 26394923
N-[(3S)-1-cycloheptylpiperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 26394925
2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 32918035

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 51386615) is 6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is CC[C@H]1CC(C)(C)CCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is PDPQNTYTKNKLMQ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-9-8-14(2,3)5-6-17(9)12(19)10-7-11(18)16-13(20)15-10/h7,9H,4-6,8H2,1-3H3,(H2,15,16,18,20)/t9-/m0/s1.
What are the key properties of 6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 279.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-ethyl-4,4-dimethylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 51386615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).