3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C13H25N3O4 — CID 61233623

IUPAC3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N(CCO)CCO)C1
InChIInChI=1S/C13H25N3O4/c1-14(2)13(20)16-5-3-4-11(10-16)12(19)15(6-8-17)7-9-18/h11,17-18H,3-10H2,1-2H3
InChIKeyJWSMJLQCWGNASP-UHFFFAOYSA-N
MW287.36 g/mol
LogP-0.81
Rot. Bonds5

About 3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 61233623) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID61233623
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N(CCO)CCO)C1
InChIInChI=1S/C13H25N3O4/c1-14(2)13(20)16-5-3-4-11(10-16)12(19)15(6-8-17)7-9-18/h11,17-18H,3-10H2,1-2H3
InChIKeyJWSMJLQCWGNASP-UHFFFAOYSA-N
XLogP-0.81
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60778381
1-(cyclopropanecarbonyl)-N,N-bis(2-hydroxyethyl)piperidine-3-carboxamide
CID 61233609
4-N,4-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 61233622
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 107202052
3-N-(3-hydroxypropyl)-1-N,1-N-dimethyl-3-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 61039438
3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
CID 60988420
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
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]amino]-4-hydroxybutanoic acid
CID 61243104
N-(2-hydroxyethyl)-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 110900000
3-N-(2-hydroxyethyl)-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
CID 103750590

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 61233623) is 3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCCC(C(=O)N(CCO)CCO)C1.
What is the InChIKey of 3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is JWSMJLQCWGNASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-14(2)13(20)16-5-3-4-11(10-16)12(19)15(6-8-17)7-9-18/h11,17-18H,3-10H2,1-2H3.
What are the key properties of 3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 287.36 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 61233623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).