2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

C13H26N4O — CID 62545473

IUPAC2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCNC1CCCN(CC(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C13H26N4O/c1-14-12-4-3-5-16(10-12)11-13(18)17-8-6-15(2)7-9-17/h12,14H,3-11H2,1-2H3
InChIKeyMMCPLSOBAHXMTC-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.56
Rot. Bonds3

About 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 62545473) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID62545473
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCNC1CCCN(CC(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C13H26N4O/c1-14-12-4-3-5-16(10-12)11-13(18)17-8-6-15(2)7-9-17/h12,14H,3-11H2,1-2H3
InChIKeyMMCPLSOBAHXMTC-UHFFFAOYSA-N
XLogP-0.56
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119918785
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone
CID 119919525
2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62546511
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385889
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 55064854
2-[3-(methylamino)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 115300483
2-[3-(methylamino)piperidin-1-yl]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 119920308
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119919999
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119918451
2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 62068636
2-[3-(methylamino)piperidin-1-yl]-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119919292
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[3-(methylamino)piperidin-1-yl]ethanone
CID 119919779

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 62545473) is 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is CNC1CCCN(CC(=O)N2CCN(C)CC2)C1.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is MMCPLSOBAHXMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-14-12-4-3-5-16(10-12)11-13(18)17-8-6-15(2)7-9-17/h12,14H,3-11H2,1-2H3.
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 254.38 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 62545473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).