2-(4-aminopiperidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide

C12H25N3O2S — CID 114171947

IUPAC2-(4-aminopiperidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
SMILESNC1CCN(CC(=O)NCCSCCCO)CC1
InChIInChI=1S/C12H25N3O2S/c13-11-2-5-15(6-3-11)10-12(17)14-4-9-18-8-1-7-16/h11,16H,1-10,13H2,(H,14,17)
InChIKeyNDIKWQQKVGFOKD-UHFFFAOYSA-N
MW275.42 g/mol
LogP-0.36
Rot. Bonds8

About 2-(4-aminopiperidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide

2-(4-aminopiperidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide (PubChem CID 114171947) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
PubChem CID114171947
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name2-(4-aminopiperidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
SMILESNC1CCN(CC(=O)NCCSCCCO)CC1
InChIInChI=1S/C12H25N3O2S/c13-11-2-5-15(6-3-11)10-12(17)14-4-9-18-8-1-7-16/h11,16H,1-10,13H2,(H,14,17)
InChIKeyNDIKWQQKVGFOKD-UHFFFAOYSA-N
XLogP-0.36
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 79328495
2-(4-aminopiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 79332156
6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
CID 79327645
2-(4-aminopiperidin-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 79327739
2-(4-aminopiperidin-1-yl)-N-(3,3-dimethylbutyl)acetamide;hydrochloride
CID 119908436
2-(4-aminopiperidin-1-yl)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 79327489
2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide
CID 116644130
2-(4-aminopiperidin-1-yl)-N-(3-methylsulfinylbutyl)acetamide
CID 115740859
5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid
CID 104685674
2-(4-aminopiperidin-1-yl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 79328337
2-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 113450216
N-(2-hydroxyethyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 43509640

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide (CID 114171947) is 2-(4-aminopiperidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide is NC1CCN(CC(=O)NCCSCCCO)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
The InChIKey is NDIKWQQKVGFOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c13-11-2-5-15(6-3-11)10-12(17)14-4-9-18-8-1-7-16/h11,16H,1-10,13H2,(H,14,17).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide?
2-(4-aminopiperidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide has a molecular weight of 275.42 g/mol, XLogP of -0.36, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 114171947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).