N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide

C13H24N4O — CID 107163698

IUPACN-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
SMILESCN1CCC(C)(CNCC(=O)NCCC#N)CC1
InChIInChI=1S/C13H24N4O/c1-13(4-8-17(2)9-5-13)11-15-10-12(18)16-7-3-6-14/h15H,3-5,7-11H2,1-2H3,(H,16,18)
InChIKeyNNQGJOZYSXMZLX-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.34
Rot. Bonds6

About N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide

N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide (PubChem CID 107163698) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
PubChem CID107163698
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
SMILESCN1CCC(C)(CNCC(=O)NCCC#N)CC1
InChIInChI=1S/C13H24N4O/c1-13(4-8-17(2)9-5-13)11-15-10-12(18)16-7-3-6-14/h15H,3-5,7-11H2,1-2H3,(H,16,18)
InChIKeyNNQGJOZYSXMZLX-UHFFFAOYSA-N
XLogP0.34
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.34
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

2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(3-methylbutyl)acetamide
CID 107163609
2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 104920672
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 107163946
N-carbamoyl-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163606
N-(2-cyanoethyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60697915
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 107163702
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-ethyl-N-methylacetamide
CID 107163662
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide
CID 107164032
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-oxopropanoic acid
CID 104889410
5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide
CID 114281626
2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-ethylbutanamide
CID 107164042
N-(2-cyanoethyl)-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]acetamide
CID 43401906

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide (CID 107163698) is N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide is CN1CCC(C)(CNCC(=O)NCCC#N)CC1.
What is the InChIKey of N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide?
The InChIKey is NNQGJOZYSXMZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-13(4-8-17(2)9-5-13)11-15-10-12(18)16-7-3-6-14/h15H,3-5,7-11H2,1-2H3,(H,16,18).
What are the key properties of N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide?
N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide has a molecular weight of 252.36 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide is sourced from PubChem (CID 107163698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).