4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile

C14H23N3O2 — CID 66431939

IUPAC4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile
SMILESN#CC(CC(=O)N1CCCCC1)NCC1CCCO1
InChIInChI=1S/C14H23N3O2/c15-10-12(16-11-13-5-4-8-19-13)9-14(18)17-6-2-1-3-7-17/h12-13,16H,1-9,11H2
InChIKeyREMCXLZNINPQEH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.05
Rot. Bonds5

About 4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile

4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile (PubChem CID 66431939) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile.

Molecular Properties

Compound Name4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile
PubChem CID66431939
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile
SMILESN#CC(CC(=O)N1CCCCC1)NCC1CCCO1
InChIInChI=1S/C14H23N3O2/c15-10-12(16-11-13-5-4-8-19-13)9-14(18)17-6-2-1-3-7-17/h12-13,16H,1-9,11H2
InChIKeyREMCXLZNINPQEH-UHFFFAOYSA-N
XLogP1.05
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-2-(oxolan-2-ylmethylamino)-4-pyrrolidin-1-ylbutanenitrile
CID 66432127
1-(azepan-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 7437129
2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083350
2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone
CID 54948766
2-(2-azidoethylamino)-4-oxo-4-piperidin-1-ylbutanenitrile
CID 66431942
2-[2-(diethylamino)ethylamino]-4-oxo-4-pyrrolidin-1-ylbutanenitrile
CID 66432333
3-ethyl-2-(oxolan-2-ylmethylamino)pentanenitrile
CID 61317504
2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 55409532
1-(oxolan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 47083307
2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 91645723
(2R)-1-morpholin-4-yl-2-[[(2R)-oxolan-2-yl]methylamino]propan-1-one
CID 1439822
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113160273

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile?
The IUPAC name of 4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile (CID 66431939) is 4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile.
What is the SMILES notation for 4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile?
The canonical SMILES for 4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile is N#CC(CC(=O)N1CCCCC1)NCC1CCCO1.
What is the InChIKey of 4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile?
The InChIKey is REMCXLZNINPQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c15-10-12(16-11-13-5-4-8-19-13)9-14(18)17-6-2-1-3-7-17/h12-13,16H,1-9,11H2.
What are the key properties of 4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile?
4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile has a molecular weight of 265.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile is sourced from PubChem (CID 66431939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).