3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide

C15H29N3O3 — CID 107202052

IUPAC3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N(C)CCCCCO)C1
InChIInChI=1S/C15H29N3O3/c1-16(2)15(21)18-10-7-8-13(12-18)14(20)17(3)9-5-4-6-11-19/h13,19H,4-12H2,1-3H3
InChIKeyFYYNUQVDFTWYFD-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.00
Rot. Bonds6

About 3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide

3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide (PubChem CID 107202052) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
PubChem CID107202052
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)N(C)CCCCCO)C1
InChIInChI=1S/C15H29N3O3/c1-16(2)15(21)18-10-7-8-13(12-18)14(20)17(3)9-5-4-6-11-19/h13,19H,4-12H2,1-3H3
InChIKeyFYYNUQVDFTWYFD-UHFFFAOYSA-N
XLogP1.00
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-(2-hydroxyethyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60778381
3-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-methylamino]propanoic acid
CID 60988420
3-N,3-N-bis(2-hydroxyethyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 61233623
3-N-(3-hydroxypropyl)-1-N,1-N-dimethyl-3-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 61039438
N-(2-hydroxyethyl)-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 110900000
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,1-dimethyl-N-octylpiperidine-3-carboxamide
CID 14306886
2-[[1-(dimethylcarbamoyl)piperidine-3-carbonyl]-propylamino]acetic acid
CID 61013155
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120822
1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide
CID 110931950
1-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 102866122

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide (CID 107202052) is 3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCCC(C(=O)N(C)CCCCCO)C1.
What is the InChIKey of 3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide?
The InChIKey is FYYNUQVDFTWYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-16(2)15(21)18-10-7-8-13(12-18)14(20)17(3)9-5-4-6-11-19/h13,19H,4-12H2,1-3H3.
What are the key properties of 3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide?
3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide has a molecular weight of 299.41 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 107202052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).