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

C22H31N3O3 — CID 110844044

IUPACpropan-2-yl 6-ethyl-4-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1=C(C(=O)OC(C)C)C(c2ccc(N3CCC(C)CC3)cc2)NC(=O)N1
InChIInChI=1S/C22H31N3O3/c1-5-18-19(21(26)28-14(2)3)20(24-22(27)23-18)16-6-8-17(9-7-16)25-12-10-15(4)11-13-25/h6-9,14-15,20H,5,10-13H2,1-4H3,(H2,23,24,27)
InChIKeyFNGMLCQYNKLHGX-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.89
Rot. Bonds5

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

propan-2-yl 6-ethyl-4-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 110844044) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is propan-2-yl 6-ethyl-4-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-ethyl-4-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID110844044
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Namepropan-2-yl 6-ethyl-4-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1=C(C(=O)OC(C)C)C(c2ccc(N3CCC(C)CC3)cc2)NC(=O)N1
InChIInChI=1S/C22H31N3O3/c1-5-18-19(21(26)28-14(2)3)20(24-22(27)23-18)16-6-8-17(9-7-16)25-12-10-15(4)11-13-25/h6-9,14-15,20H,5,10-13H2,1-4H3,(H2,23,24,27)
InChIKeyFNGMLCQYNKLHGX-UHFFFAOYSA-N
XLogP3.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 6-ethyl-4-[4-(4-methylpiperidin-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-ethyl-4-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844111
propan-2-yl 4-(3-chloro-4-propan-2-yloxyphenyl)-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843877
propan-2-yl 4-(3-bromo-4-ethoxyphenyl)-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110845114
propan-2-yl 4-[4-(diethylamino)phenyl]-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843076
propan-2-yl 4-(4-butoxyphenyl)-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843091
propan-2-yl 4-[4-(2-methylpropoxy)phenyl]-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843138
methyl 6-butyl-2-oxo-4-(4-pyrrolidin-1-ylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843065
ethyl 6-(4-methoxyphenyl)-4-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844040
propan-2-yl 4-[4-(4-tert-butylphenoxy)phenyl]-2-oxo-6-propyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846222
ethyl 6-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-oxo-4-(4-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46253676
methyl 6-ethyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 10755910
propan-2-yl (4R)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 746979

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-ethyl-4-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of propan-2-yl 6-ethyl-4-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 110844044) is propan-2-yl 6-ethyl-4-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for propan-2-yl 6-ethyl-4-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for propan-2-yl 6-ethyl-4-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCC1=C(C(=O)OC(C)C)C(c2ccc(N3CCC(C)CC3)cc2)NC(=O)N1.
What is the InChIKey of propan-2-yl 6-ethyl-4-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is FNGMLCQYNKLHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-5-18-19(21(26)28-14(2)3)20(24-22(27)23-18)16-6-8-17(9-7-16)25-12-10-15(4)11-13-25/h6-9,14-15,20H,5,10-13H2,1-4H3,(H2,23,24,27).
What are the key properties of propan-2-yl 6-ethyl-4-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
propan-2-yl 6-ethyl-4-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 385.51 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-ethyl-4-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 110844044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).