N-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide

C14H26N4O — CID 63608815

IUPACN-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
SMILESCN(CCC#N)C(=O)CCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C14H26N4O/c1-14(2)12-18(11-10-17(14)4)9-6-13(19)16(3)8-5-7-15/h5-6,8-12H2,1-4H3
InChIKeyYQPKMDLUTMGTNJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.77
Rot. Bonds5

About N-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide

N-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide (PubChem CID 63608815) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
PubChem CID63608815
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
SMILESCN(CCC#N)C(=O)CCN1CCN(C)C(C)(C)C1
InChIInChI=1S/C14H26N4O/c1-14(2)12-18(11-10-17(14)4)9-6-13(19)16(3)8-5-7-15/h5-6,8-12H2,1-4H3
InChIKeyYQPKMDLUTMGTNJ-UHFFFAOYSA-N
XLogP0.77
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
CID 43288810
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
3-(3-azaspiro[5.5]undecan-3-yl)-N-(2-cyanoethyl)-N-methylpropanamide
CID 62937400
N-(2-cyanoethyl)-3-(3,4-dimethoxypyrrolidin-1-yl)-N-methylpropanamide
CID 103533519
N-(2-cyanoethyl)-N-methyl-3-(5-oxo-1,4-diazepan-1-yl)propanamide
CID 63004460
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)-2-(4,4-diethylpiperidin-1-yl)-N-methylacetamide
CID 63160697
N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide
CID 43288560
5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63608884
5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one
CID 63635156

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide (CID 63608815) is N-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide is CN(CCC#N)C(=O)CCN1CCN(C)C(C)(C)C1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide?
The InChIKey is YQPKMDLUTMGTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-14(2)12-18(11-10-17(14)4)9-6-13(19)16(3)8-5-7-15/h5-6,8-12H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide?
N-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide has a molecular weight of 266.39 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-3-(3,3,4-trimethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 63608815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).