[1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid

C18H20Cl2N4O3 — CID 146345882

IUPAC[1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid
SMILESCc1nc(N2CCC(C)(NC(=O)O)CC2)cc(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C18H20Cl2N4O3/c1-11-21-14(23-8-6-18(2,7-9-23)22-17(26)27)10-15(25)24(11)13-5-3-4-12(19)16(13)20/h3-5,10,22H,6-9H2,1-2H3,(H,26,27)
InChIKeyHJWGQHOBDCVSAS-UHFFFAOYSA-N
MW411.29 g/mol
LogP3.47
Rot. Bonds3

About [1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid

[1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid (PubChem CID 146345882) has the molecular formula C18H20Cl2N4O3 and a molecular weight of 411.29 g/mol. Its IUPAC name is [1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid
PubChem CID146345882
Molecular FormulaC18H20Cl2N4O3
Molecular Weight411.29 g/mol
Exact Mass410.09
IUPAC Name[1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid
SMILESCc1nc(N2CCC(C)(NC(=O)O)CC2)cc(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C18H20Cl2N4O3/c1-11-21-14(23-8-6-18(2,7-9-23)22-17(26)27)10-15(25)24(11)13-5-3-4-12(19)16(13)20/h3-5,10,22H,6-9H2,1-2H3,(H,26,27)
InChIKeyHJWGQHOBDCVSAS-UHFFFAOYSA-N
XLogP3.47
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid with MolForge

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

Launch Full Analysis

Related Compounds

6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2-methylpyrimidin-4-one
CID 158026583
[1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl] carbamate
CID 175117123
3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one
CID 155165313
3-(2-bromo-3-chlorophenyl)-2-methyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
CID 153403402
2-amino-3-(2,3-dichlorophenyl)-6-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylpyrimidin-4-one
CID 155709884
(R)-N-[(1S)-6-bromo-1'-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 170551994
3-(2,3-dichlorophenyl)-6-(4,4-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidin-4-one
CID 158112369
1-[(1S)-1'-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]spiro[1,3-dihydropyrrolizine-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 171768826
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-one
CID 155165316
N-[1-(6-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]acetamide
CID 19694928
3-(2,3-dichlorophenyl)-2,5-dimethyl-6-[4-methyl-4-(2-methylpropyl)azepan-1-yl]pyrimidin-4-one
CID 155623757
[4-methyl-1-(2-methylsulfanyl-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]carbamic acid
CID 139434669

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid?
The IUPAC name of [1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid (CID 146345882) is [1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid is Cc1nc(N2CCC(C)(NC(=O)O)CC2)cc(=O)n1-c1cccc(Cl)c1Cl.
What is the InChIKey of [1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid?
The InChIKey is HJWGQHOBDCVSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O3/c1-11-21-14(23-8-6-18(2,7-9-23)22-17(26)27)10-15(25)24(11)13-5-3-4-12(19)16(13)20/h3-5,10,22H,6-9H2,1-2H3,(H,26,27).
What are the key properties of [1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid?
[1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid has a molecular weight of 411.29 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2,3-dichlorophenyl)-2-methyl-6-oxopyrimidin-4-yl]-4-methylpiperidin-4-yl]carbamic acid is sourced from PubChem (CID 146345882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).