2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone

C13H26N4O3S — CID 79874632

IUPAC2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCC1CN(CC(=O)N2CCN(S(C)(=O)=O)CC2)CCC1N
InChIInChI=1S/C13H26N4O3S/c1-11-9-15(4-3-12(11)14)10-13(18)16-5-7-17(8-6-16)21(2,19)20/h11-12H,3-10,14H2,1-2H3
InChIKeyIETFULUQVQSRNZ-UHFFFAOYSA-N
MW318.44 g/mol
LogP-1.24
Rot. Bonds3

About 2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone

2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone (PubChem CID 79874632) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
PubChem CID79874632
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC Name2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
SMILESCC1CN(CC(=O)N2CCN(S(C)(=O)=O)CC2)CCC1N
InChIInChI=1S/C13H26N4O3S/c1-11-9-15(4-3-12(11)14)10-13(18)16-5-7-17(8-6-16)21(2,19)20/h11-12H,3-10,14H2,1-2H3
InChIKeyIETFULUQVQSRNZ-UHFFFAOYSA-N
XLogP-1.24
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-4-methylpyrrolidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 103577107
methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 79874187
1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110684423
2-[3-(methylamino)piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62546511
1-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde
CID 62656037
3-methyl-1-methylsulfonylpiperidin-4-amine
CID 67385582
1-(4-methylsulfonylpiperazin-1-yl)-2-piperazin-1-ylethanone
CID 43168616
2-(2-aminocyclohexyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62994159
2-(4-amino-3-ethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 81459405
2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 62068636
1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone
CID 62063064
(6R)-1-methylsulfonyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazepane-6-carboxamide
CID 124965285

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone (CID 79874632) is 2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone is CC1CN(CC(=O)N2CCN(S(C)(=O)=O)CC2)CCC1N.
What is the InChIKey of 2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is IETFULUQVQSRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-11-9-15(4-3-12(11)14)10-13(18)16-5-7-17(8-6-16)21(2,19)20/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone?
2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 318.44 g/mol, XLogP of -1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 79874632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).