2-cyano-N-(1-ethylpiperidin-3-yl)propanamide

C11H19N3O — CID 55208553

IUPAC2-cyano-N-(1-ethylpiperidin-3-yl)propanamide
SMILESCCN1CCCC(NC(=O)C(C)C#N)C1
InChIInChI=1S/C11H19N3O/c1-3-14-6-4-5-10(8-14)13-11(15)9(2)7-12/h9-10H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyROBFZSWRPWBTHW-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.75
Rot. Bonds3

About 2-cyano-N-(1-ethylpiperidin-3-yl)propanamide

2-cyano-N-(1-ethylpiperidin-3-yl)propanamide (PubChem CID 55208553) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-cyano-N-(1-ethylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(1-ethylpiperidin-3-yl)propanamide
PubChem CID55208553
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-cyano-N-(1-ethylpiperidin-3-yl)propanamide
SMILESCCN1CCCC(NC(=O)C(C)C#N)C1
InChIInChI=1S/C11H19N3O/c1-3-14-6-4-5-10(8-14)13-11(15)9(2)7-12/h9-10H,3-6,8H2,1-2H3,(H,13,15)
InChIKeyROBFZSWRPWBTHW-UHFFFAOYSA-N
XLogP0.75
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
CID 62877371
2-bromo-N-(1-ethylpiperidin-3-yl)butanamide
CID 62854187
N-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide
CID 54958550
1-cyclopropyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589816
1-cyclopentyl-3-(1-ethylpiperidin-3-yl)urea
CID 115589989
1-cyano-N-(1-ethylpiperidin-3-yl)-3-methylcyclobutane-1-carboxamide
CID 80501614
2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 62404425
N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76926150
2-hydroxyethyl N-(1-ethylpiperidin-3-yl)carbamate
CID 79348890
2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide
CID 55080821
(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide
CID 130979651

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-ethylpiperidin-3-yl)propanamide?
The IUPAC name of 2-cyano-N-(1-ethylpiperidin-3-yl)propanamide (CID 55208553) is 2-cyano-N-(1-ethylpiperidin-3-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(1-ethylpiperidin-3-yl)propanamide?
The canonical SMILES for 2-cyano-N-(1-ethylpiperidin-3-yl)propanamide is CCN1CCCC(NC(=O)C(C)C#N)C1.
What is the InChIKey of 2-cyano-N-(1-ethylpiperidin-3-yl)propanamide?
The InChIKey is ROBFZSWRPWBTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-14-6-4-5-10(8-14)13-11(15)9(2)7-12/h9-10H,3-6,8H2,1-2H3,(H,13,15).
What are the key properties of 2-cyano-N-(1-ethylpiperidin-3-yl)propanamide?
2-cyano-N-(1-ethylpiperidin-3-yl)propanamide has a molecular weight of 209.29 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-ethylpiperidin-3-yl)propanamide is sourced from PubChem (CID 55208553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).