2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide

C17H25N3O2S — CID 134047639

IUPAC2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide
SMILESCc1cccc(CSCC(=O)NC2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C17H25N3O2S/c1-13-3-2-4-14(9-13)11-23-12-17(22)19-15-5-7-20(8-6-15)10-16(18)21/h2-4,9,15H,5-8,10-12H2,1H3,(H2,18,21)(H,19,22)
InChIKeyACYXBAQWHWRJPZ-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.29
Rot. Bonds7

About 2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide

2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide (PubChem CID 134047639) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide
PubChem CID134047639
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide
SMILESCc1cccc(CSCC(=O)NC2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C17H25N3O2S/c1-13-3-2-4-14(9-13)11-23-12-17(22)19-15-5-7-20(8-6-15)10-16(18)21/h2-4,9,15H,5-8,10-12H2,1H3,(H2,18,21)(H,19,22)
InChIKeyACYXBAQWHWRJPZ-UHFFFAOYSA-N
XLogP1.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 63626474
2-[(3-methylphenyl)methylsulfanyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705373
N-[4-[(dimethylamino)methyl]cyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 75361908
2-[(3-chlorophenyl)methylsulfanyl]-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 55753990
N-[(1R,2R)-2-hydroxycyclohexyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 104927220
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
2-benzylsulfanyl-N-[4-(dimethylamino)-4-[(3-methylphenyl)methyl]cyclohexyl]acetamide
CID 11704258
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 55754018
N-(1-acetylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 110715006
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,4-dimethylphenyl)propanamide
CID 134047888
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-fluorophenyl)propanamide
CID 134047878

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide (CID 134047639) is 2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide is Cc1cccc(CSCC(=O)NC2CCN(CC(N)=O)CC2)c1.
What is the InChIKey of 2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide?
The InChIKey is ACYXBAQWHWRJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-13-3-2-4-14(9-13)11-23-12-17(22)19-15-5-7-20(8-6-15)10-16(18)21/h2-4,9,15H,5-8,10-12H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of 2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide?
2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide has a molecular weight of 335.47 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 134047639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).