1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid

C12H22N2O4 — CID 102699853

IUPAC1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCOC(C)CNC(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8-4-5-14(10(6-8)11(15)16)12(17)13-7-9(2)18-3/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyVLLITFGCTMFHCX-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.92
Rot. Bonds4

About 1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid

1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 102699853) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID102699853
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCOC(C)CNC(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8-4-5-14(10(6-8)11(15)16)12(17)13-7-9(2)18-3/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyVLLITFGCTMFHCX-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 102907114
1-(2-methoxypropylcarbamoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 102699792
4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114425882
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
N-(2-methoxypropyl)-4-methylpiperidine-1-carboxamide
CID 102697405
1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425883
1-(2-ethoxypropylcarbamoyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430528
4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
CID 114425136
1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114426023
1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425520
4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid
CID 114265002
1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425494

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid (CID 102699853) is 1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid is COC(C)CNC(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is VLLITFGCTMFHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8-4-5-14(10(6-8)11(15)16)12(17)13-7-9(2)18-3/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid?
1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 102699853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).