2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]-N-(6-sulfanylidenehex-4-en-2-yl)acetamide

C19H27N3OS — CID 143224255

IUPAC2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]-N-(6-sulfanylidenehex-4-en-2-yl)acetamide
SMILESCC(CC=CC=S)NC(=O)CN1CCC(Cc2ccccn2)CC1
InChIInChI=1S/C19H27N3OS/c1-16(6-3-5-13-24)21-19(23)15-22-11-8-17(9-12-22)14-18-7-2-4-10-20-18/h2-5,7,10,13,16-17H,6,8-9,11-12,14-15H2,1H3,(H,21,23)
InChIKeyDCGXVABETVSYDQ-UHFFFAOYSA-N
MW345.51 g/mol
LogP2.79
Rot. Bonds8

About 2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]-N-(6-sulfanylidenehex-4-en-2-yl)acetamide

2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]-N-(6-sulfanylidenehex-4-en-2-yl)acetamide (PubChem CID 143224255) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is 2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]-N-(6-sulfanylidenehex-4-en-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]-N-(6-sulfanylidenehex-4-en-2-yl)acetamide
PubChem CID143224255
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]-N-(6-sulfanylidenehex-4-en-2-yl)acetamide
SMILESCC(CC=CC=S)NC(=O)CN1CCC(Cc2ccccn2)CC1
InChIInChI=1S/C19H27N3OS/c1-16(6-3-5-13-24)21-19(23)15-22-11-8-17(9-12-22)14-18-7-2-4-10-20-18/h2-5,7,10,13,16-17H,6,8-9,11-12,14-15H2,1H3,(H,21,23)
InChIKeyDCGXVABETVSYDQ-UHFFFAOYSA-N
XLogP2.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyridine
CID 174571259
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
ethane;2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]-N-(1,2,3,4-tetrahydropyridin-3-yl)acetamide
CID 143224290
2-(4-benzylpiperidin-1-yl)-N-(1-cyclopropylethyl)acetamide
CID 78719824
N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55477021
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]acetamide
CID 97020692
N-methyl-2-[4-(quinolin-8-ylmethyl)piperidin-1-yl]acetamide
CID 110090460
2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
2-[[4-(2-methylpropyl)cyclohexyl]methyl]pyridine
CID 129147354
2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 95341234
N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 134049016
N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 43036008

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]-N-(6-sulfanylidenehex-4-en-2-yl)acetamide?
The IUPAC name of 2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]-N-(6-sulfanylidenehex-4-en-2-yl)acetamide (CID 143224255) is 2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]-N-(6-sulfanylidenehex-4-en-2-yl)acetamide.
What is the SMILES notation for 2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]-N-(6-sulfanylidenehex-4-en-2-yl)acetamide?
The canonical SMILES for 2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]-N-(6-sulfanylidenehex-4-en-2-yl)acetamide is CC(CC=CC=S)NC(=O)CN1CCC(Cc2ccccn2)CC1.
What is the InChIKey of 2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]-N-(6-sulfanylidenehex-4-en-2-yl)acetamide?
The InChIKey is DCGXVABETVSYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-16(6-3-5-13-24)21-19(23)15-22-11-8-17(9-12-22)14-18-7-2-4-10-20-18/h2-5,7,10,13,16-17H,6,8-9,11-12,14-15H2,1H3,(H,21,23).
What are the key properties of 2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]-N-(6-sulfanylidenehex-4-en-2-yl)acetamide?
2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]-N-(6-sulfanylidenehex-4-en-2-yl)acetamide has a molecular weight of 345.51 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-2-ylmethyl)piperidin-1-yl]-N-(6-sulfanylidenehex-4-en-2-yl)acetamide is sourced from PubChem (CID 143224255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).