1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone

C13H25N3O — CID 110849813

IUPAC1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone
SMILESCN1CCN(C(=O)CC2CCCCN2C)CC1
InChIInChI=1S/C13H25N3O/c1-14-7-9-16(10-8-14)13(17)11-12-5-3-4-6-15(12)2/h12H,3-11H2,1-2H3
InChIKeyBSACOCJZJITSRT-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.63
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone

1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone (PubChem CID 110849813) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone
PubChem CID110849813
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone
SMILESCN1CCN(C(=O)CC2CCCCN2C)CC1
InChIInChI=1S/C13H25N3O/c1-14-7-9-16(10-8-14)13(17)11-12-5-3-4-6-15(12)2/h12H,3-11H2,1-2H3
InChIKeyBSACOCJZJITSRT-UHFFFAOYSA-N
XLogP0.63
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone
CID 110853309
2-[2-(aminomethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 43187002
ethane;1-(1-methylpyrrolidin-2-yl)propan-2-one
CID 91473977
1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one;hydrochloride
CID 46242410
1-[2-[(1-methylpiperidin-2-yl)methylamino]acetyl]piperidine-4-carboxylic acid
CID 103244498
2-(1-methylpiperidin-2-yl)-1-[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 77089142
2-[(1-methylpiperidin-2-yl)methyl]prop-2-enal
CID 117266799
3-(1-methylpiperidin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 110849364
N-tert-butyl-2-(1-methylpiperidin-2-yl)acetamide
CID 110855384
tert-butyl 2-[(2S)-1-methylpiperidin-2-yl]acetate
CID 134905805
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone
CID 110857116

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone (CID 110849813) is 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone is CN1CCN(C(=O)CC2CCCCN2C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone?
The InChIKey is BSACOCJZJITSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-14-7-9-16(10-8-14)13(17)11-12-5-3-4-6-15(12)2/h12H,3-11H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone?
1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone has a molecular weight of 239.36 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone is sourced from PubChem (CID 110849813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).