5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile

C17H33N3O — CID 106803139

IUPAC5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCOC1CCN(CCCC(C#N)(CC)NC(C)C)CC1
InChIInChI=1S/C17H33N3O/c1-5-17(14-18,19-15(3)4)10-7-11-20-12-8-16(9-13-20)21-6-2/h15-16,19H,5-13H2,1-4H3
InChIKeyFBWHZFYTBBRENH-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.94
Rot. Bonds9

About 5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile

5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile (PubChem CID 106803139) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
PubChem CID106803139
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
SMILESCCOC1CCN(CCCC(C#N)(CC)NC(C)C)CC1
InChIInChI=1S/C17H33N3O/c1-5-17(14-18,19-15(3)4)10-7-11-20-12-8-16(9-13-20)21-6-2/h15-16,19H,5-13H2,1-4H3
InChIKeyFBWHZFYTBBRENH-UHFFFAOYSA-N
XLogP2.94
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylpiperazin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803638
2-ethyl-5-(2-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentanenitrile
CID 106802748
5-(4-tert-butylpiperidin-1-yl)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803491
5-(2,4-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803996
2-ethyl-5-(3-methoxypyrrolidin-1-yl)-2-(propylamino)pentanenitrile
CID 106804074
4-(4-ethoxypiperidin-1-yl)-2-(methylamino)butanenitrile
CID 63027329
5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809351
2-ethyl-2-(propylamino)-5-(4-propylpiperidin-1-yl)pentanenitrile
CID 106803501
2-ethyl-2-(propan-2-ylamino)-5-(4,4,4-trifluorobutoxy)pentanenitrile
CID 106804907
5-[cyclopentyl(ethyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803040
2-ethyl-5-[4-(methoxymethyl)piperidin-1-yl]-2-(propylamino)pentanenitrile
CID 106803718
2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile
CID 106802818

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile (CID 106803139) is 5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile is CCOC1CCN(CCCC(C#N)(CC)NC(C)C)CC1.
What is the InChIKey of 5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is FBWHZFYTBBRENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-5-17(14-18,19-15(3)4)10-7-11-20-12-8-16(9-13-20)21-6-2/h15-16,19H,5-13H2,1-4H3.
What are the key properties of 5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile?
5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 295.47 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 106803139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).