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

C13H26N4O3S — CID 62546511

IUPAC2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCNC1CCCN(CC(=O)N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C13H26N4O3S/c1-14-12-4-3-5-15(10-12)11-13(18)16-6-8-17(9-7-16)21(2,19)20/h12,14H,3-11H2,1-2H3
InChIKeyACLTWXDDKSWCJB-UHFFFAOYSA-N
MW318.44 g/mol
LogP-1.23
Rot. Bonds4

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

2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 62546511) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID62546511
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCNC1CCCN(CC(=O)N2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C13H26N4O3S/c1-14-12-4-3-5-15(10-12)11-13(18)16-6-8-17(9-7-16)21(2,19)20/h12,14H,3-11H2,1-2H3
InChIKeyACLTWXDDKSWCJB-UHFFFAOYSA-N
XLogP-1.23
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 62545473
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
1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde
CID 62656037
2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 79874632
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-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110684423
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119919999
2-(3-amino-4-methylpyrrolidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 103577107
1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone
CID 43168616
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-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 62546511) is 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone is CNC1CCCN(CC(=O)N2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is ACLTWXDDKSWCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-14-12-4-3-5-15(10-12)11-13(18)16-6-8-17(9-7-16)21(2,19)20/h12,14H,3-11H2,1-2H3.
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 318.44 g/mol, XLogP of -1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 62546511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).