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

C11H23N3OS — CID 79328495

IUPAC2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide
SMILESCSCCCNC(=O)CN1CCC(N)CC1
InChIInChI=1S/C11H23N3OS/c1-16-8-2-5-13-11(15)9-14-6-3-10(12)4-7-14/h10H,2-9,12H2,1H3,(H,13,15)
InChIKeyAVLKZEVVBQUAGV-UHFFFAOYSA-N
MW245.39 g/mol
LogP0.28
Rot. Bonds6

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

2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide (PubChem CID 79328495) has the molecular formula C11H23N3OS and a molecular weight of 245.39 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide
PubChem CID79328495
Molecular FormulaC11H23N3OS
Molecular Weight245.39 g/mol
Exact Mass245.16
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide
SMILESCSCCCNC(=O)CN1CCC(N)CC1
InChIInChI=1S/C11H23N3OS/c1-16-8-2-5-13-11(15)9-14-6-3-10(12)4-7-14/h10H,2-9,12H2,1H3,(H,13,15)
InChIKeyAVLKZEVVBQUAGV-UHFFFAOYSA-N
XLogP0.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methoxyethoxy)propyl]acetamide
CID 79327489
2-(4-aminopiperidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 114171947
6-[[2-(4-aminopiperidin-1-yl)acetyl]amino]hexanoic acid
CID 79327645
5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid
CID 104685674
2-(4-aminopiperidin-1-yl)-N-(3,3-dimethylbutyl)acetamide;hydrochloride
CID 119908436
2-(3-aminopyrrolidin-1-yl)-N-butylacetamide
CID 62067276
2-(4-aminopiperidin-1-yl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 79328181
2-(4-aminopiperidin-1-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 79332156
2-(4-aminopiperidin-1-yl)-N-pent-3-ynylacetamide
CID 116644130
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-(4-aminopiperidin-1-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 113450216

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide (CID 79328495) is 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide is CSCCCNC(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide?
The InChIKey is AVLKZEVVBQUAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3OS/c1-16-8-2-5-13-11(15)9-14-6-3-10(12)4-7-14/h10H,2-9,12H2,1H3,(H,13,15).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide?
2-(4-aminopiperidin-1-yl)-N-(3-methylsulfanylpropyl)acetamide has a molecular weight of 245.39 g/mol, XLogP of 0.28, 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-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 79328495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).