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

C18H28N4O3 — CID 46381371

IUPAC1-ethyl-3-methyl-6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCCn1c(N2CCC(C(=O)N3CCCCC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H28N4O3/c1-3-22-15(13-16(23)19(2)18(22)25)20-11-7-14(8-12-20)17(24)21-9-5-4-6-10-21/h13-14H,3-12H2,1-2H3
InChIKeyCLFIPCJCOUDYED-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.80
Rot. Bonds3

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

1-ethyl-3-methyl-6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione (PubChem CID 46381371) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
PubChem CID46381371
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-ethyl-3-methyl-6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione
SMILESCCn1c(N2CCC(C(=O)N3CCCCC3)CC2)cc(=O)n(C)c1=O
InChIInChI=1S/C18H28N4O3/c1-3-22-15(13-16(23)19(2)18(22)25)20-11-7-14(8-12-20)17(24)21-9-5-4-6-10-21/h13-14H,3-12H2,1-2H3
InChIKeyCLFIPCJCOUDYED-UHFFFAOYSA-N
XLogP0.80
TPSA67.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-methyl-6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione (CID 46381371) is 1-ethyl-3-methyl-6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-methyl-6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-methyl-6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione is CCn1c(N2CCC(C(=O)N3CCCCC3)CC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1-ethyl-3-methyl-6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
The InChIKey is CLFIPCJCOUDYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-22-15(13-16(23)19(2)18(22)25)20-11-7-14(8-12-20)17(24)21-9-5-4-6-10-21/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione?
1-ethyl-3-methyl-6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione has a molecular weight of 348.45 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 46381371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).