N-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide

C11H18N4O2 — CID 54958550

IUPACN-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide
SMILESCCN1CCCC(NC(=O)C(=O)NCC#N)C1
InChIInChI=1S/C11H18N4O2/c1-2-15-7-3-4-9(8-15)14-11(17)10(16)13-6-5-12/h9H,2-4,6-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyLNJCJSRIRUOSKD-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.77
Rot. Bonds3

About N-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide

N-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide (PubChem CID 54958550) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide
PubChem CID54958550
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide
SMILESCCN1CCCC(NC(=O)C(=O)NCC#N)C1
InChIInChI=1S/C11H18N4O2/c1-2-15-7-3-4-9(8-15)14-11(17)10(16)13-6-5-12/h9H,2-4,6-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyLNJCJSRIRUOSKD-UHFFFAOYSA-N
XLogP-0.77
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(1-ethylpiperidin-3-yl)propanamide
CID 55208553
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
1-cyano-N-(1-ethylpiperidin-3-yl)-3-methylcyclobutane-1-carboxamide
CID 80501614
2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 62404425
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
2-bromo-N-(1-ethylpiperidin-3-yl)butanamide
CID 62854187
1-ethyl-3-(1-ethylpiperidin-3-yl)-1-methylurea
CID 115604545
3-[(1-ethylpiperidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030045
2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
CID 62877371
2-hydroxyethyl N-(1-ethylpiperidin-3-yl)carbamate
CID 79348890
3-amino-N-(1-ethylpiperidin-3-yl)-3-methylbutanamide
CID 64677785

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide?
The IUPAC name of N-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide (CID 54958550) is N-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide is CCN1CCCC(NC(=O)C(=O)NCC#N)C1.
What is the InChIKey of N-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide?
The InChIKey is LNJCJSRIRUOSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-15-7-3-4-9(8-15)14-11(17)10(16)13-6-5-12/h9H,2-4,6-8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide?
N-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide has a molecular weight of 238.29 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide is sourced from PubChem (CID 54958550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).