1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

C14H26N2O5 — CID 104597994

IUPAC1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCOCCN(CCOC)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-14(12(17)18)6-4-5-7-16(14)13(19)15(8-10-20-2)9-11-21-3/h4-11H2,1-3H3,(H,17,18)
InChIKeyXJEGXLVHYJWYBC-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.03
Rot. Bonds7

About 1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid

1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (PubChem CID 104597994) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
PubChem CID104597994
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
SMILESCOCCN(CCOC)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-14(12(17)18)6-4-5-7-16(14)13(19)15(8-10-20-2)9-11-21-3/h4-11H2,1-3H3,(H,17,18)
InChIKeyXJEGXLVHYJWYBC-UHFFFAOYSA-N
XLogP1.03
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[butyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598017
1-[ethyl(1-methoxypropan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598114
2-methyl-1-[methyl(2-propan-2-yloxyethyl)carbamoyl]piperidine-2-carboxylic acid
CID 104598372
1-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598109
1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598019
1-[2-(2-methoxyethoxy)ethylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598137
1-[2-hydroxypropyl(methyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 113431043
1-[ethyl(propan-2-yl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597887
1-(2-methoxypropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104595518
N,N-bis(2-methoxyethyl)piperidine-1-carboxamide
CID 115578688
1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597906
2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid
CID 113431022

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid (CID 104597994) is 1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is COCCN(CCOC)C(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
The InChIKey is XJEGXLVHYJWYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-14(12(17)18)6-4-5-7-16(14)13(19)15(8-10-20-2)9-11-21-3/h4-11H2,1-3H3,(H,17,18).
What are the key properties of 1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid?
1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methoxyethyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104597994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).