2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide

C13H21N3O2 — CID 113408600

IUPAC2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
SMILESCCC(C#N)C(=O)NC(C)C(=O)N1CCCCC1
InChIInChI=1S/C13H21N3O2/c1-3-11(9-14)12(17)15-10(2)13(18)16-7-5-4-6-8-16/h10-11H,3-8H2,1-2H3,(H,15,17)
InChIKeyNFCGHIVEBQCYLH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.05
Rot. Bonds4

About 2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide

2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide (PubChem CID 113408600) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide.

Molecular Properties

Compound Name2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
PubChem CID113408600
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
SMILESCCC(C#N)C(=O)NC(C)C(=O)N1CCCCC1
InChIInChI=1S/C13H21N3O2/c1-3-11(9-14)12(17)15-10(2)13(18)16-7-5-4-6-8-16/h10-11H,3-8H2,1-2H3,(H,15,17)
InChIKeyNFCGHIVEBQCYLH-UHFFFAOYSA-N
XLogP1.05
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride
CID 119292063
2-cyano-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 62641160
2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 54863272
(2R)-2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 79013484
1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 47481518
(2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 61180719
(2S,3R)-3-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
CID 102590703
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 113233582
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide?
The IUPAC name of 2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide (CID 113408600) is 2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide.
What is the SMILES notation for 2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide?
The canonical SMILES for 2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide is CCC(C#N)C(=O)NC(C)C(=O)N1CCCCC1.
What is the InChIKey of 2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide?
The InChIKey is NFCGHIVEBQCYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-11(9-14)12(17)15-10(2)13(18)16-7-5-4-6-8-16/h10-11H,3-8H2,1-2H3,(H,15,17).
What are the key properties of 2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide?
2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide has a molecular weight of 251.33 g/mol, XLogP of 1.05, 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-oxo-1-piperidin-1-ylpropan-2-yl)butanamide is sourced from PubChem (CID 113408600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).