1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

C18H24N2O7 — CID 122102647

IUPAC1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C18H24N2O7/c1-10-5-11(16(21)22)9-20(8-10)18(24)19-13-7-15(26-3)14(25-2)6-12(13)17(23)27-4/h6-7,10-11H,5,8-9H2,1-4H3,(H,19,24)(H,21,22)
InChIKeyHUQHUXXLERJADT-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.06
Rot. Bonds5

About 1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122102647) has the molecular formula C18H24N2O7 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122102647
Molecular FormulaC18H24N2O7
Molecular Weight380.40 g/mol
Exact Mass380.16
IUPAC Name1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C18H24N2O7/c1-10-5-11(16(21)22)9-20(8-10)18(24)19-13-7-15(26-3)14(25-2)6-12(13)17(23)27-4/h6-7,10-11H,5,8-9H2,1-4H3,(H,19,24)(H,21,22)
InChIKeyHUQHUXXLERJADT-UHFFFAOYSA-N
XLogP2.06
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(6-methoxycarbonyl-1,3-benzodioxol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102960
1-[(5-chloro-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102649
1-[(4-methoxycarbonyl-3-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102328
1-[(2-fluoro-4-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102337
1-[(4-chloro-3-methoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103008
1-[(2-chloro-5-methoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102219
5-methyl-1-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122121950
1-[(2,4,5-trimethoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087120
1-[(2-methoxy-6-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102972
1-[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122264
1-[(2-butoxy-5-methoxyphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102018
1-[(5-bromo-2,4-dimethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102886

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122102647) is 1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is COC(=O)c1cc(OC)c(OC)cc1NC(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is HUQHUXXLERJADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O7/c1-10-5-11(16(21)22)9-20(8-10)18(24)19-13-7-15(26-3)14(25-2)6-12(13)17(23)27-4/h6-7,10-11H,5,8-9H2,1-4H3,(H,19,24)(H,21,22).
What are the key properties of 1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 380.40 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethoxy-2-methoxycarbonylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122102647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).