2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide

C20H32N2O2S — CID 78524240

IUPAC2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCCCC(=O)N1CCC(CC(=O)NCc2cccs2)C(CC)C1
InChIInChI=1S/C20H32N2O2S/c1-3-5-6-9-20(24)22-11-10-17(16(4-2)15-22)13-19(23)21-14-18-8-7-12-25-18/h7-8,12,16-17H,3-6,9-11,13-15H2,1-2H3,(H,21,23)
InChIKeyBFENMXMKVQINNV-UHFFFAOYSA-N
MW364.56 g/mol
LogP4.21
Rot. Bonds9

About 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 78524240) has the molecular formula C20H32N2O2S and a molecular weight of 364.56 g/mol. Its IUPAC name is 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID78524240
Molecular FormulaC20H32N2O2S
Molecular Weight364.56 g/mol
Exact Mass364.22
IUPAC Name2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCCCC(=O)N1CCC(CC(=O)NCc2cccs2)C(CC)C1
InChIInChI=1S/C20H32N2O2S/c1-3-5-6-9-20(24)22-11-10-17(16(4-2)15-22)13-19(23)21-14-18-8-7-12-25-18/h7-8,12,16-17H,3-6,9-11,13-15H2,1-2H3,(H,21,23)
InChIKeyBFENMXMKVQINNV-UHFFFAOYSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 163162329
2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 74693756
2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 11912525
1-(4-amino-3-ethylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 81457987
2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-prop-2-enylacetamide
CID 78522758
3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-1-carboxamide
CID 73139411
methyl 1-[2-[(3R,4S)-3-ethyl-1-hexanoylpiperidin-4-yl]acetyl]piperidine-4-carboxylate
CID 28959379
4-(azepan-1-yl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 3981931
1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]butan-1-one
CID 110289429
(2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 98791446
1-[3-(aminomethyl)pyrrolidin-1-yl]-6-thiophen-2-ylhexan-1-one
CID 119484105
1-(3-chloro-4-methylpiperidin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 102961373

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 78524240) is 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide is CCCCCC(=O)N1CCC(CC(=O)NCc2cccs2)C(CC)C1.
What is the InChIKey of 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is BFENMXMKVQINNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2S/c1-3-5-6-9-20(24)22-11-10-17(16(4-2)15-22)13-19(23)21-14-18-8-7-12-25-18/h7-8,12,16-17H,3-6,9-11,13-15H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 364.56 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 78524240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).