N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]oxamide

C11H21N3O2 — CID 16886543

IUPACN-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]oxamide
SMILESCCNC(=O)C(=O)NCC1CCN(C)CC1
InChIInChI=1S/C11H21N3O2/c1-3-12-10(15)11(16)13-8-9-4-6-14(2)7-5-9/h9H,3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeySYVBIQXSUCRDDY-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.42
Rot. Bonds3

About N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]oxamide

N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]oxamide (PubChem CID 16886543) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]oxamide
PubChem CID16886543
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]oxamide
SMILESCCNC(=O)C(=O)NCC1CCN(C)CC1
InChIInChI=1S/C11H21N3O2/c1-3-12-10(15)11(16)13-8-9-4-6-14(2)7-5-9/h9H,3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeySYVBIQXSUCRDDY-UHFFFAOYSA-N
XLogP-0.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(alanyl-leucyl)
CID 13879946
N,N-Diethyl-4-piperidinecarboxamide
CID 410920
N-cyclohexyl-2-(4-methyl-1-piperidinyl)acetamide hydrochloride
CID 2959553
(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896
3-Isobutyl-6-methyl-2,5-piperazinedione
CID 3634567
(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
CID 25220884
3-(2-Butanyl)-6-methyl-2,5-piperazinedione
CID 45359405
(3S,6S)-3-((2S)-butan-2-yl)-6-methylpiperazine-2,5-dione
CID 71359704
(6S)-6-(4-aminobutyl)-1-(cyclohexylmethyl)piperazine-2,3-dione
CID 16745886
(6S)-6-(4-aminobutyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 23640882
1-[[1-(3-Methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281028

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]oxamide (CID 16886543) is N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]oxamide is CCNC(=O)C(=O)NCC1CCN(C)CC1.
What is the InChIKey of N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]oxamide?
The InChIKey is SYVBIQXSUCRDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-3-12-10(15)11(16)13-8-9-4-6-14(2)7-5-9/h9H,3-8H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]oxamide?
N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]oxamide has a molecular weight of 227.31 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(1-methylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 16886543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).