N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide

C13H22N4O2 — CID 115586646

IUPACN-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
SMILESN#CCCNC(=O)CNCCC(=O)N1CCCCC1
InChIInChI=1S/C13H22N4O2/c14-6-4-7-16-12(18)11-15-8-5-13(19)17-9-2-1-3-10-17/h15H,1-5,7-11H2,(H,16,18)
InChIKeyMUCZQTUJOGPIIP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.01
Rot. Bonds7

About N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide

N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide (PubChem CID 115586646) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
PubChem CID115586646
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
SMILESN#CCCNC(=O)CNCCC(=O)N1CCCCC1
InChIInChI=1S/C13H22N4O2/c14-6-4-7-16-12(18)11-15-8-5-13(19)17-9-2-1-3-10-17/h15H,1-5,7-11H2,(H,16,18)
InChIKeyMUCZQTUJOGPIIP-UHFFFAOYSA-N
XLogP0.01
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60697915
N-butyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 115586639
4-(azepan-1-yl)-4-oxobutanenitrile
CID 82111512
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
CID 115581972
N-cyclopropyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 113268579
3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 112685112
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
4-amino-N-(3-oxo-3-piperidin-1-ylpropyl)butanamide
CID 70095936
N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide
CID 43401906
2-methoxy-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 115581606
1-(azepan-1-yl)-3-(butylamino)propan-1-one
CID 109012440

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide (CID 115586646) is N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide is N#CCCNC(=O)CNCCC(=O)N1CCCCC1.
What is the InChIKey of N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide?
The InChIKey is MUCZQTUJOGPIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c14-6-4-7-16-12(18)11-15-8-5-13(19)17-9-2-1-3-10-17/h15H,1-5,7-11H2,(H,16,18).
What are the key properties of N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide?
N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide has a molecular weight of 266.34 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide is sourced from PubChem (CID 115586646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).