1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione

C17H26N4O4 — CID 93070816

IUPAC1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCCn1c(N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H26N4O4/c1-3-21-14(11-15(22)18(2)17(21)24)20-6-4-5-13(12-20)16(23)19-7-9-25-10-8-19/h11,13H,3-10,12H2,1-2H3/t13-/m1/s1
InChIKeyLZLYKVHSKGCXBK-CYBMUJFWSA-N
MW350.42 g/mol
LogP-0.36
Rot. Bonds3

About 1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione

1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione (PubChem CID 93070816) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
PubChem CID93070816
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCCn1c(N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H26N4O4/c1-3-21-14(11-15(22)18(2)17(21)24)20-6-4-5-13(12-20)16(23)19-7-9-25-10-8-19/h11,13H,3-10,12H2,1-2H3/t13-/m1/s1
InChIKeyLZLYKVHSKGCXBK-CYBMUJFWSA-N
XLogP-0.36
TPSA76.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 93070846
(3S)-N-butyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 93070814
(3S)-N-benzyl-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086004
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 53107366
1-ethyl-3-methyl-6-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 20972443
(3S)-N-(3,5-dimethoxyphenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 95086014
N-(3,4-dimethylphenyl)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)piperidine-3-carboxamide
CID 53107376
(3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95085974
1-ethyl-6-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-methylpyrimidine-2,4-dione
CID 46381369
1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 53107368
(3S)-1-(3-ethyl-1-methyl-2,6-dioxopyrimidin-4-yl)-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 93070805
6-[(3R)-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 95086059

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione (CID 93070816) is 1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione is CCn1c(N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
The InChIKey is LZLYKVHSKGCXBK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-3-21-14(11-15(22)18(2)17(21)24)20-6-4-5-13(12-20)16(23)19-7-9-25-10-8-19/h11,13H,3-10,12H2,1-2H3/t13-/m1/s1.
What are the key properties of 1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione has a molecular weight of 350.42 g/mol, XLogP of -0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 93070816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).