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

C19H25N3O4 — CID 110844111

IUPACmethyl 6-ethyl-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1=C(C(=O)OC)C(c2ccc(N3CCC(O)CC3)cc2)NC(=O)N1
InChIInChI=1S/C19H25N3O4/c1-3-15-16(18(24)26-2)17(21-19(25)20-15)12-4-6-13(7-5-12)22-10-8-14(23)9-11-22/h4-7,14,17,23H,3,8-11H2,1-2H3,(H2,20,21,25)
InChIKeyWECFBDJRWRZSGO-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.84
Rot. Bonds4

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

methyl 6-ethyl-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 110844111) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl 6-ethyl-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethyl-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID110844111
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Namemethyl 6-ethyl-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1=C(C(=O)OC)C(c2ccc(N3CCC(O)CC3)cc2)NC(=O)N1
InChIInChI=1S/C19H25N3O4/c1-3-15-16(18(24)26-2)17(21-19(25)20-15)12-4-6-13(7-5-12)22-10-8-14(23)9-11-22/h4-7,14,17,23H,3,8-11H2,1-2H3,(H2,20,21,25)
InChIKeyWECFBDJRWRZSGO-UHFFFAOYSA-N
XLogP1.84
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 6-ethyl-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 6-butyl-2-oxo-4-(4-pyrrolidin-1-ylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843065
methyl 6-ethyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 10755910
propan-2-yl 6-ethyl-4-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844044
methyl (4S)-4-(4-fluorophenyl)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 95181414
methyl 6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46858380
methyl 6-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46858383
methyl 2-oxo-4-phenyl-6-[(4-phenylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46920729
methyl (4S)-6-methyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7777417
methyl (4R)-4-(4-fluorophenyl)-6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 95181407
methyl 4-(4-methoxyphenyl)-6-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46920883
methyl 4-(4-ethoxyphenyl)-6-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46921015
methyl 6-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46920750

Frequently Asked Questions

What is the IUPAC name of methyl 6-ethyl-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 6-ethyl-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 110844111) is methyl 6-ethyl-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 6-ethyl-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 6-ethyl-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCC1=C(C(=O)OC)C(c2ccc(N3CCC(O)CC3)cc2)NC(=O)N1.
What is the InChIKey of methyl 6-ethyl-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is WECFBDJRWRZSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-3-15-16(18(24)26-2)17(21-19(25)20-15)12-4-6-13(7-5-12)22-10-8-14(23)9-11-22/h4-7,14,17,23H,3,8-11H2,1-2H3,(H2,20,21,25).
What are the key properties of methyl 6-ethyl-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
methyl 6-ethyl-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethyl-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 110844111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).