N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide

C13H24N4O — CID 43288810

IUPACN-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
SMILESCCN1CCN(CCC(=O)N(C)CCC#N)CC1
InChIInChI=1S/C13H24N4O/c1-3-16-9-11-17(12-10-16)8-5-13(18)15(2)7-4-6-14/h3-5,7-12H2,1-2H3
InChIKeyZQBGNMHZZVTONX-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.39
Rot. Bonds6

About N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide

N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide (PubChem CID 43288810) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
PubChem CID43288810
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
SMILESCCN1CCN(CCC(=O)N(C)CCC#N)CC1
InChIInChI=1S/C13H24N4O/c1-3-16-9-11-17(12-10-16)8-5-13(18)15(2)7-4-6-14/h3-5,7-12H2,1-2H3
InChIKeyZQBGNMHZZVTONX-UHFFFAOYSA-N
XLogP0.39
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
CID 107223079
N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide
CID 43585997
N-butyl-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
CID 109017680
3-(3-azaspiro[5.5]undecan-3-yl)-N-(2-cyanoethyl)-N-methylpropanamide
CID 62937400
N-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
CID 63608815
N-(2-cyanoethyl)-N-methyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide
CID 63004460
N-(2-cyanoethyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropanamide
CID 103533519
N-(2-cyanoethyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methylpropanamide
CID 103895030
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide
CID 43288560
3-[4-(cyanomethyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 63337622

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide (CID 43288810) is N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide is CCN1CCN(CCC(=O)N(C)CCC#N)CC1.
What is the InChIKey of N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide?
The InChIKey is ZQBGNMHZZVTONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-16-9-11-17(12-10-16)8-5-13(18)15(2)7-4-6-14/h3-5,7-12H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide?
N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 0.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 43288810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).