ethyl 6-methyl-2-oxo-4-[2-(2-oxo-2-piperidin-1-ylethoxy)naphthalen-1-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

C25H29N3O5 — CID 649566

IUPACethyl 6-methyl-2-oxo-4-[2-(2-oxo-2-piperidin-1-ylethoxy)naphthalen-1-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)NC1c1c(OCC(=O)N2CCCCC2)ccc2ccccc12
InChIInChI=1S/C25H29N3O5/c1-3-32-24(30)21-16(2)26-25(31)27-23(21)22-18-10-6-5-9-17(18)11-12-19(22)33-15-20(29)28-13-7-4-8-14-28/h5-6,9-12,23H,3-4,7-8,13-15H2,1-2H3,(H2,26,27,31)
InChIKeyCUUJSSIAGKQNJJ-UHFFFAOYSA-N
MW451.52 g/mol
LogP3.42
Rot. Bonds6

About ethyl 6-methyl-2-oxo-4-[2-(2-oxo-2-piperidin-1-ylethoxy)naphthalen-1-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-methyl-2-oxo-4-[2-(2-oxo-2-piperidin-1-ylethoxy)naphthalen-1-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 649566) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is ethyl 6-methyl-2-oxo-4-[2-(2-oxo-2-piperidin-1-ylethoxy)naphthalen-1-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-oxo-4-[2-(2-oxo-2-piperidin-1-ylethoxy)naphthalen-1-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID649566
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Nameethyl 6-methyl-2-oxo-4-[2-(2-oxo-2-piperidin-1-ylethoxy)naphthalen-1-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)NC1c1c(OCC(=O)N2CCCCC2)ccc2ccccc12
InChIInChI=1S/C25H29N3O5/c1-3-32-24(30)21-16(2)26-25(31)27-23(21)22-18-10-6-5-9-17(18)11-12-19(22)33-15-20(29)28-13-7-4-8-14-28/h5-6,9-12,23H,3-4,7-8,13-15H2,1-2H3,(H2,26,27,31)
InChIKeyCUUJSSIAGKQNJJ-UHFFFAOYSA-N
XLogP3.42
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-oxo-4-[2-(2-oxo-2-piperidin-1-ylethoxy)naphthalen-1-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-2-oxo-4-[2-(2-oxo-2-piperidin-1-ylethoxy)naphthalen-1-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 649566) is ethyl 6-methyl-2-oxo-4-[2-(2-oxo-2-piperidin-1-ylethoxy)naphthalen-1-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-oxo-4-[2-(2-oxo-2-piperidin-1-ylethoxy)naphthalen-1-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-oxo-4-[2-(2-oxo-2-piperidin-1-ylethoxy)naphthalen-1-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(C)NC(=O)NC1c1c(OCC(=O)N2CCCCC2)ccc2ccccc12.
What is the InChIKey of ethyl 6-methyl-2-oxo-4-[2-(2-oxo-2-piperidin-1-ylethoxy)naphthalen-1-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is CUUJSSIAGKQNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-3-32-24(30)21-16(2)26-25(31)27-23(21)22-18-10-6-5-9-17(18)11-12-19(22)33-15-20(29)28-13-7-4-8-14-28/h5-6,9-12,23H,3-4,7-8,13-15H2,1-2H3,(H2,26,27,31).
What are the key properties of ethyl 6-methyl-2-oxo-4-[2-(2-oxo-2-piperidin-1-ylethoxy)naphthalen-1-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-methyl-2-oxo-4-[2-(2-oxo-2-piperidin-1-ylethoxy)naphthalen-1-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 451.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-oxo-4-[2-(2-oxo-2-piperidin-1-ylethoxy)naphthalen-1-yl]-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 649566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).