3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide

C12H23N3O3 — CID 60778381

IUPAC3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N(C)CCO)C1
InChIInChI=1S/C12H23N3O3/c1-13(2)12(18)15-6-4-5-10(9-15)11(17)14(3)7-8-16/h10,16H,4-9H2,1-3H3
InChIKeyKFYHZCXNUGAQBU-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.17
Rot. Bonds3

About 3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide

3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide (PubChem CID 60778381) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
PubChem CID60778381
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N(C)CCO)C1
InChIInChI=1S/C12H23N3O3/c1-13(2)12(18)15-6-4-5-10(9-15)11(17)14(3)7-8-16/h10,16H,4-9H2,1-3H3
InChIKeyKFYHZCXNUGAQBU-UHFFFAOYSA-N
XLogP-0.17
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 107202052
3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 61233623
3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
CID 60988420
N-(2-hydroxyethyl)-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 110900000
3-N-(3-hydroxypropyl)-1-N,1-N-dimethyl-3-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 61039438
3-(azepane-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 60756295
3-N-methoxy-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60767416
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
3-(hydrazinecarbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 43348977
N-(2-hydroxyethyl)-1-(2-methylpropanoyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 43573439
1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 43573446

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide (CID 60778381) is 3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCCC(C(=O)N(C)CCO)C1.
What is the InChIKey of 3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide?
The InChIKey is KFYHZCXNUGAQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-13(2)12(18)15-6-4-5-10(9-15)11(17)14(3)7-8-16/h10,16H,4-9H2,1-3H3.
What are the key properties of 3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide?
3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 60778381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).