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

C16H21N3O — CID 62877371

IUPAC2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
SMILESCCN1CCCC(NC(=O)C(C#N)c2ccccc2)C1
InChIInChI=1S/C16H21N3O/c1-2-19-10-6-9-14(12-19)18-16(20)15(11-17)13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-10,12H2,1H3,(H,18,20)
InChIKeySWMWSGIGRZKHTP-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.89
Rot. Bonds4

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

2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide (PubChem CID 62877371) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
PubChem CID62877371
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
SMILESCCN1CCCC(NC(=O)C(C#N)c2ccccc2)C1
InChIInChI=1S/C16H21N3O/c1-2-19-10-6-9-14(12-19)18-16(20)15(11-17)13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-10,12H2,1H3,(H,18,20)
InChIKeySWMWSGIGRZKHTP-UHFFFAOYSA-N
XLogP1.89
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
CID 61169816
2-cyano-N-(1-ethylpiperidin-3-yl)propanamide
CID 55208553
(2S)-2-amino-N-(1-ethylpiperidin-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119862385
2-cyano-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 62877360
2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide
CID 106591180
2-(4-cyanophenyl)-N-(1-ethylpiperidin-3-yl)acetamide
CID 62404425
2-anilino-N-(1-ethylpiperidin-3-yl)acetamide
CID 61171381
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
2-bromo-N-(1-ethylpiperidin-3-yl)butanamide
CID 62854187
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
CID 79022762
N-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide
CID 54958550
(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide
CID 67518430

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide?
The IUPAC name of 2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide (CID 62877371) is 2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide is CCN1CCCC(NC(=O)C(C#N)c2ccccc2)C1.
What is the InChIKey of 2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide?
The InChIKey is SWMWSGIGRZKHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-19-10-6-9-14(12-19)18-16(20)15(11-17)13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-10,12H2,1H3,(H,18,20).
What are the key properties of 2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide?
2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide has a molecular weight of 271.36 g/mol, XLogP of 1.89, 4 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)-2-phenylacetamide is sourced from PubChem (CID 62877371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).