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

C21H33N3O2 — CID 74693756

IUPAC2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCCCCCC(=O)N1CCC(CC(=O)NCc2cccnc2)C(CC)C1
InChIInChI=1S/C21H33N3O2/c1-3-5-6-9-21(26)24-12-10-19(18(4-2)16-24)13-20(25)23-15-17-8-7-11-22-14-17/h7-8,11,14,18-19H,3-6,9-10,12-13,15-16H2,1-2H3,(H,23,25)
InChIKeyBFDLEKBCLSJOMH-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.54
Rot. Bonds9

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

2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 74693756) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID74693756
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCCCCCC(=O)N1CCC(CC(=O)NCc2cccnc2)C(CC)C1
InChIInChI=1S/C21H33N3O2/c1-3-5-6-9-21(26)24-12-10-19(18(4-2)16-24)13-20(25)23-15-17-8-7-11-22-14-17/h7-8,11,14,18-19H,3-6,9-10,12-13,15-16H2,1-2H3,(H,23,25)
InChIKeyBFDLEKBCLSJOMH-UHFFFAOYSA-N
XLogP3.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.54
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-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 78524240
(3S,4S)-3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]piperidine-1-carboxamide
CID 162806830
4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 23381452
2-[3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-naphthalen-1-ylacetamide
CID 74736422
2-[(3S,3aS,6aS)-5-acetyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 97483084
ethyl 4-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 109023489
N-[3-(pyridin-3-ylmethylamino)propyl]octanamide
CID 43600563
3-oxo-N-(pyridin-3-ylmethyl)-3-pyrrolidin-1-ylpropanamide
CID 108941959
ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 113122149
2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 162806846
2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 162812465
N-butyl-2-(pyridin-3-ylmethylamino)acetamide
CID 60671469

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 74693756) is 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide is CCCCCC(=O)N1CCC(CC(=O)NCc2cccnc2)C(CC)C1.
What is the InChIKey of 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is BFDLEKBCLSJOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-3-5-6-9-21(26)24-12-10-19(18(4-2)16-24)13-20(25)23-15-17-8-7-11-22-14-17/h7-8,11,14,18-19H,3-6,9-10,12-13,15-16H2,1-2H3,(H,23,25).
What are the key properties of 2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 359.51 g/mol, XLogP of 3.54, 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-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 74693756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).