ethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide

C18H41N5O — CID 142390383

IUPACethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCC.CC.CNC(=O)CN1CCN(CCN2CCN(C)CC2)CC1
InChIInChI=1S/C14H29N5O.2C2H6/c1-15-14(20)13-19-11-9-18(10-12-19)8-7-17-5-3-16(2)4-6-17;2*1-2/h3-13H2,1-2H3,(H,15,20);2*1-2H3
InChIKeyDKVPXRIHFJFCNW-UHFFFAOYSA-N
MW343.56 g/mol
LogP0.65
Rot. Bonds5

About ethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide

ethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 142390383) has the molecular formula C18H41N5O and a molecular weight of 343.56 g/mol. Its IUPAC name is ethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Nameethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide
PubChem CID142390383
Molecular FormulaC18H41N5O
Molecular Weight343.56 g/mol
Exact Mass343.33
IUPAC Nameethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide
SMILESCC.CC.CNC(=O)CN1CCN(CCN2CCN(C)CC2)CC1
InChIInChI=1S/C14H29N5O.2C2H6/c1-15-14(20)13-19-11-9-18(10-12-19)8-7-17-5-3-16(2)4-6-17;2*1-2/h3-13H2,1-2H3,(H,15,20);2*1-2H3
InChIKeyDKVPXRIHFJFCNW-UHFFFAOYSA-N
XLogP0.65
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-(piperazin-1-yl)acetamide
CID 2758642
Oxamide, N-methyl-N'-[2-(4-piperazinyl)ethyl]-
CID 567248
N,N-diethyl-2-(piperazin-1-yl)acetamide
CID 7131630
2-(Dimethylamino)-1-(piperazin-1-yl)ethan-1-one
CID 16770302
2-(Diethylamino)-1-(piperazin-1-yl)ethan-1-one
CID 16770303
1-(2-(Dimethylamino)ethyl)piperazin-2-one
CID 58002045
Piperazinyldiketone
CID 13750373
N-ethyl-2-(piperazin-1-yl)acetamide
CID 16395007
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-N-propan-2-ylacetamide
CID 2394974
N-[2-(dimethylamino)ethyl]-N-methyl-2-piperazin-1-ylacetamide
CID 63694521
2-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994575
1-Methyl-4-(piperazin-1-ylacetyl)piperazine
CID 14090605

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of ethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide (CID 142390383) is ethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for ethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for ethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide is CC.CC.CNC(=O)CN1CCN(CCN2CCN(C)CC2)CC1.
What is the InChIKey of ethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is DKVPXRIHFJFCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O.2C2H6/c1-15-14(20)13-19-11-9-18(10-12-19)8-7-17-5-3-16(2)4-6-17;2*1-2/h3-13H2,1-2H3,(H,15,20);2*1-2H3.
What are the key properties of ethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide?
ethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 343.56 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 142390383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).