N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide

C11H21N3O2 — CID 170620451

IUPACN-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(C)CCC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H21N3O2/c1-10(15)13(3)5-4-11(16)14-8-6-12(2)7-9-14/h4-9H2,1-3H3
InChIKeyWNRMOVCWHWOXPS-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.37
Rot. Bonds3

About N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide

N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide (PubChem CID 170620451) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
PubChem CID170620451
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(C)CCC(=O)N1CCN(C)CC1
InChIInChI=1S/C11H21N3O2/c1-10(15)13(3)5-4-11(16)14-8-6-12(2)7-9-14/h4-9H2,1-3H3
InChIKeyWNRMOVCWHWOXPS-UHFFFAOYSA-N
XLogP-0.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[3-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]acetamide
CID 170620609
N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113117464
N-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113122821
1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
CID 110603330
3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017255
N-methyl-N-[3-oxo-3-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]propyl]acetamide
CID 170620925
N-(4-acetylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113130796
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-propan-2-ylacetamide
CID 113115134
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113130317
N-methyl-N-[5-(4-methylpiperidin-1-yl)-5-oxopentyl]acetamide
CID 170620733
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide
CID 113133616
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide (CID 170620451) is N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide is CC(=O)N(C)CCC(=O)N1CCN(C)CC1.
What is the InChIKey of N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is WNRMOVCWHWOXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10(15)13(3)5-4-11(16)14-8-6-12(2)7-9-14/h4-9H2,1-3H3.
What are the key properties of N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 227.31 g/mol, XLogP of -0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 170620451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).