2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide

C12H25N3O2S — CID 115740859

IUPAC2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide
SMILESCC(CCNC(=O)CN1CCC(N)CC1)S(C)=O
InChIInChI=1S/C12H25N3O2S/c1-10(18(2)17)3-6-14-12(16)9-15-7-4-11(13)5-8-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyIZXOPLWAGCCBNH-UHFFFAOYSA-N
MW275.42 g/mol
LogP-0.32
Rot. Bonds6

About 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide

2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide (PubChem CID 115740859) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide
PubChem CID115740859
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide
SMILESCC(CCNC(=O)CN1CCC(N)CC1)S(C)=O
InChIInChI=1S/C12H25N3O2S/c1-10(18(2)17)3-6-14-12(16)9-15-7-4-11(13)5-8-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyIZXOPLWAGCCBNH-UHFFFAOYSA-N
XLogP-0.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid
CID 104685674
2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 113450216
2-(4-aminopiperidin-1-yl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 107220866
2-(4-aminopiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 79332156
2-(4-aminopiperidin-1-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102905813
2-(4-aminopiperidin-1-yl)-N-(3,3-dimethylbutyl)acetamide;hydrochloride
CID 119908436
2-(4-aminopiperidin-1-yl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 79328181
2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide
CID 116644130
2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 79328495
2-(4-aminopiperidin-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 79327739
2-(4-aminopiperidin-1-yl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 79328337
2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
CID 62067276

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide (CID 115740859) is 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide is CC(CCNC(=O)CN1CCC(N)CC1)S(C)=O.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide?
The InChIKey is IZXOPLWAGCCBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-10(18(2)17)3-6-14-12(16)9-15-7-4-11(13)5-8-15/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide?
2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide has a molecular weight of 275.42 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide is sourced from PubChem (CID 115740859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).