methyl 4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

C19H25N3O3 — CID 6461196

IUPACmethyl 4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(CN2CCCCC2)NC(=O)NC1c1ccccc1C
InChIInChI=1S/C19H25N3O3/c1-13-8-4-5-9-14(13)17-16(18(23)25-2)15(20-19(24)21-17)12-22-10-6-3-7-11-22/h4-5,8-9,17H,3,6-7,10-12H2,1-2H3,(H2,20,21,24)
InChIKeyHAAYOTPTXBLMDJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.26
Rot. Bonds4

About methyl 4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

methyl 4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 6461196) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is methyl 4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID6461196
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Namemethyl 4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(CN2CCCCC2)NC(=O)NC1c1ccccc1C
InChIInChI=1S/C19H25N3O3/c1-13-8-4-5-9-14(13)17-16(18(23)25-2)15(20-19(24)21-17)12-22-10-6-3-7-11-22/h4-5,8-9,17H,3,6-7,10-12H2,1-2H3,(H2,20,21,24)
InChIKeyHAAYOTPTXBLMDJ-UHFFFAOYSA-N
XLogP2.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 6461196) is methyl 4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is COC(=O)C1=C(CN2CCCCC2)NC(=O)NC1c1ccccc1C.
What is the InChIKey of methyl 4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is HAAYOTPTXBLMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-8-4-5-9-14(13)17-16(18(23)25-2)15(20-19(24)21-17)12-22-10-6-3-7-11-22/h4-5,8-9,17H,3,6-7,10-12H2,1-2H3,(H2,20,21,24).
What are the key properties of methyl 4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?
methyl 4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylphenyl)-2-oxo-6-(piperidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 6461196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).