1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

C12H22N2O4 — CID 106744036

IUPAC1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCCN(CCO)C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C12H22N2O4/c1-3-13(6-7-15)12(18)14-5-4-10(11(16)17)8-9(14)2/h9-10,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyQCYCLJZMDKRTQB-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.61
Rot. Bonds4

About 1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid

1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744036) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106744036
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCCN(CCO)C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C12H22N2O4/c1-3-13(6-7-15)12(18)14-5-4-10(11(16)17)8-9(14)2/h9-10,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyQCYCLJZMDKRTQB-UHFFFAOYSA-N
XLogP0.61
TPSA81.08 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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744027
1-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744183
2-Methyl-1-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744186
2-Methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744187
2-Methyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744390
1-[2,2-Difluoroethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744560
2-[1-[2,2-Difluoroethyl(2-hydroxyethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 107481614
1-[2,2-Difluoroethyl(2-hydroxyethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107481651
1-[2,2-Difluoroethyl(2-hydroxyethyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 107481695
1-[2,2-Difluoroethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 107481783
3-[1-[2,2-Difluoroethyl(2-hydroxyethyl)carbamoyl]piperidin-4-yl]propanoic acid
CID 107481812
1-[2,2-Difluoroethyl(2-hydroxyethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 107481854

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid (CID 106744036) is 1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is CCN(CCO)C(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is QCYCLJZMDKRTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-13(6-7-15)12(18)14-5-4-10(11(16)17)8-9(14)2/h9-10,15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid?
1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-hydroxyethyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).