2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylthiomorpholin-4-yl)ethanone

C13H25N3OS — CID 79328119

IUPAC2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylthiomorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CCC(N)CC2)CC(C)S1
InChIInChI=1S/C13H25N3OS/c1-10-7-16(8-11(2)18-10)13(17)9-15-5-3-12(14)4-6-15/h10-12H,3-9,14H2,1-2H3
InChIKeyIKVPMGXPGFOCNF-UHFFFAOYSA-N
MW271.43 g/mol
LogP0.76
Rot. Bonds2

About 2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylthiomorpholin-4-yl)ethanone

2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylthiomorpholin-4-yl)ethanone (PubChem CID 79328119) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylthiomorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylthiomorpholin-4-yl)ethanone
PubChem CID79328119
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylthiomorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CCC(N)CC2)CC(C)S1
InChIInChI=1S/C13H25N3OS/c1-10-7-16(8-11(2)18-10)13(17)9-15-5-3-12(14)4-6-15/h10-12H,3-9,14H2,1-2H3
InChIKeyIKVPMGXPGFOCNF-UHFFFAOYSA-N
XLogP0.76
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43556595
2-(4-aminopiperidin-1-yl)-1-(3-ethylpiperidin-1-yl)ethanone
CID 79327467
2-(4-aminopiperidin-1-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107222871
2-(4-aminopiperidin-1-yl)-1-morpholin-4-ylethanone;dihydrochloride
CID 56773516
2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 79328558
methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate
CID 79323233
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 94340668
2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 62068636
(3S)-1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81125475
ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 79322433
N-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-3-yl]acetamide;hydrochloride
CID 119908203
2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride
CID 119933833

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylthiomorpholin-4-yl)ethanone?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylthiomorpholin-4-yl)ethanone (CID 79328119) is 2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylthiomorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylthiomorpholin-4-yl)ethanone?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylthiomorpholin-4-yl)ethanone is CC1CN(C(=O)CN2CCC(N)CC2)CC(C)S1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylthiomorpholin-4-yl)ethanone?
The InChIKey is IKVPMGXPGFOCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-10-7-16(8-11(2)18-10)13(17)9-15-5-3-12(14)4-6-15/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylthiomorpholin-4-yl)ethanone?
2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylthiomorpholin-4-yl)ethanone has a molecular weight of 271.43 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylthiomorpholin-4-yl)ethanone is sourced from PubChem (CID 79328119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).