N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide

C12H22N2O3 — CID 78978293

IUPACN-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCOCCNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H22N2O3/c1-2-3-7-17-8-6-13-12(16)10-4-5-11(15)14-9-10/h10H,2-9H2,1H3,(H,13,16)(H,14,15)
InChIKeyUDWDKTQJNDTKCQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.45
Rot. Bonds7

About N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide

N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 78978293) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide
PubChem CID78978293
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCCCCOCCNC(=O)C1CCC(=O)NC1
InChIInChI=1S/C12H22N2O3/c1-2-3-7-17-8-6-13-12(16)10-4-5-11(15)14-9-10/h10H,2-9H2,1H3,(H,13,16)(H,14,15)
InChIKeyUDWDKTQJNDTKCQ-UHFFFAOYSA-N
XLogP0.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-6-oxopiperidine-3-carboxamide
CID 112728621
N-[3-(2-methoxyethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide
CID 112686353
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337
N-(2-cyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036834
N-[3-(dimethylamino)-3-oxopropyl]-6-oxopiperidine-3-carboxamide
CID 112728984
N-[3-(methanesulfonamido)propyl]-6-oxopiperidine-3-carboxamide
CID 103617435
N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 114618525
N-[4-(cyclopropylamino)-4-oxobutyl]-6-oxopiperidine-3-carboxamide
CID 112728892
N-(2-ethoxypropyl)-6-oxopiperidine-3-carboxamide
CID 115649057
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
2-oxo-N-pentylpiperidine-4-carboxamide
CID 110682108
6-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 112728746

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide (CID 78978293) is N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide is CCCCOCCNC(=O)C1CCC(=O)NC1.
What is the InChIKey of N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is UDWDKTQJNDTKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-3-7-17-8-6-13-12(16)10-4-5-11(15)14-9-10/h10H,2-9H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide?
N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 78978293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).