1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide

C12H24N2O2 — CID 110931950

IUPAC1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(CCCCO)C1
InChIInChI=1S/C12H24N2O2/c1-13(2)12(16)11-6-5-8-14(10-11)7-3-4-9-15/h11,15H,3-10H2,1-2H3
InChIKeyQDVUQWNXZVXIQU-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.56
Rot. Bonds5

About 1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide

1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 110931950) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide
PubChem CID110931950
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(CCCCO)C1
InChIInChI=1S/C12H24N2O2/c1-13(2)12(16)11-6-5-8-14(10-11)7-3-4-9-15/h11,15H,3-10H2,1-2H3
InChIKeyQDVUQWNXZVXIQU-UHFFFAOYSA-N
XLogP0.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.56
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

1-[2-[2-[3-(dimethylcarbamoyl)piperidin-1-yl]ethylsulfonyl]ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56526123
1-[2-(2-methoxyethoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 75424732
1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide
CID 90679730
N,N-dimethyl-1-(oxiran-2-ylmethyl)piperidine-3-carboxamide
CID 102548593
N,N-dimethyl-1-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide
CID 86869655
1-[(2R)-2-hydroxybutyl]-N,N-dimethylpiperidine-3-carboxamide
CID 111487608
ethyl (3R)-1-[4-(dimethylamino)-4-oxobutyl]piperidine-3-carboxylate
CID 115538067
1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 86869685
3-N-(5-hydroxypentyl)-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 107202052
5-[3-(hydroxymethyl)piperidin-1-yl]pentan-1-ol
CID 62229344
2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 110923804
1-(5-hydroxypentyl)piperidine-3-carbaldehyde
CID 62654377

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide (CID 110931950) is 1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide is CN(C)C(=O)C1CCCN(CCCCO)C1.
What is the InChIKey of 1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is QDVUQWNXZVXIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-13(2)12(16)11-6-5-8-14(10-11)7-3-4-9-15/h11,15H,3-10H2,1-2H3.
What are the key properties of 1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide?
1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 110931950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).