N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide

C12H25N3O — CID 146274345

IUPACN,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
SMILESCC(C)C(=O)N(C)CCN1CCN(C)CC1
InChIInChI=1S/C12H25N3O/c1-11(2)12(16)14(4)7-10-15-8-5-13(3)6-9-15/h11H,5-10H2,1-4H3
InChIKeyOQEYRUKCJQUWJB-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.35
Rot. Bonds4

About N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide

N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide (PubChem CID 146274345) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
PubChem CID146274345
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
SMILESCC(C)C(=O)N(C)CCN1CCN(C)CC1
InChIInChI=1S/C12H25N3O/c1-11(2)12(16)14(4)7-10-15-8-5-13(3)6-9-15/h11H,5-10H2,1-4H3
InChIKeyOQEYRUKCJQUWJB-UHFFFAOYSA-N
XLogP0.35
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(2-piperazin-1-ylethyl)propanamide
CID 63265503
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 22954090
2-[2-(4,7-dimethyl-1,4,7-triazonan-1-yl)ethyl-methylamino]acetic acid
CID 178078829
2-amino-N-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 83534311
N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide
CID 14622622
N-acetyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide;butane;ethane
CID 178103648
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
N-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 163456508
3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one
CID 79395842
N-[2-(1-ethylpiperidin-4-yl)ethyl]-N,2-dimethylpropanamide
CID 170184810
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methylbutanoic acid
CID 79413725

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The IUPAC name of N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide (CID 146274345) is N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide is CC(C)C(=O)N(C)CCN1CCN(C)CC1.
What is the InChIKey of N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is OQEYRUKCJQUWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(2)12(16)14(4)7-10-15-8-5-13(3)6-9-15/h11H,5-10H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide?
N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 227.35 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 146274345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).