1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid

C13H24N2O4 — CID 112754583

IUPAC1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
SMILESCOC(C)CN(C)C(=O)N1CCC(C(=O)O)C(C)C1
InChIInChI=1S/C13H24N2O4/c1-9-7-15(6-5-11(9)12(16)17)13(18)14(3)8-10(2)19-4/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeyOTSSQLVRNUEJGR-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.12
Rot. Bonds4

About 1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid

1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid (PubChem CID 112754583) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
PubChem CID112754583
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
SMILESCOC(C)CN(C)C(=O)N1CCC(C(=O)O)C(C)C1
InChIInChI=1S/C13H24N2O4/c1-9-7-15(6-5-11(9)12(16)17)13(18)14(3)8-10(2)19-4/h9-11H,5-8H2,1-4H3,(H,16,17)
InChIKeyOTSSQLVRNUEJGR-UHFFFAOYSA-N
XLogP1.12
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclobutylmethyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid
CID 114278576
1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721507
cis-(1S,2R)-2-[2-methoxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 112754415
(3S,4S)-4-methyl-1-[methyl(3-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114085888
1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid
CID 112568039
(3S,4S)-4-methyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114085867
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032262
1-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720389
methyl 2-methyl-3-[methyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162858
1-[2-(butan-2-ylamino)acetyl]-3-methylpiperidine-4-carboxylic acid
CID 114278516
1-butanoyl-3-methylpiperidine-4-carboxylic acid
CID 20606403
1-[2-hydroxyethyl(methyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719728

Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid (CID 112754583) is 1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid is COC(C)CN(C)C(=O)N1CCC(C(=O)O)C(C)C1.
What is the InChIKey of 1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid?
The InChIKey is OTSSQLVRNUEJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9-7-15(6-5-11(9)12(16)17)13(18)14(3)8-10(2)19-4/h9-11H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid?
1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxypropyl(methyl)carbamoyl]-3-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 112754583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).