2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide

C22H32N2O2 — CID 162804419

IUPAC2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
SMILESCC[C@@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)NC1CCCCC1
InChIInChI=1S/C22H32N2O2/c1-2-17-16-24(22(26)18-9-5-3-6-10-18)14-13-19(17)15-21(25)23-20-11-7-4-8-12-20/h3,5-6,9-10,17,19-20H,2,4,7-8,11-16H2,1H3,(H,23,25)/t17-,19+/m1/s1
InChIKeyTYDVSRURAZWLCY-MJGOQNOKSA-N
MW356.51 g/mol
LogP4.01
Rot. Bonds5

About 2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide

2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide (PubChem CID 162804419) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
PubChem CID162804419
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
SMILESCC[C@@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)NC1CCCCC1
InChIInChI=1S/C22H32N2O2/c1-2-17-16-24(22(26)18-9-5-3-6-10-18)14-13-19(17)15-21(25)23-20-11-7-4-8-12-20/h3,5-6,9-10,17,19-20H,2,4,7-8,11-16H2,1H3,(H,23,25)/t17-,19+/m1/s1
InChIKeyTYDVSRURAZWLCY-MJGOQNOKSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
CID 11912038
N-cyclopropyl-2-[3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 73139183
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide
CID 40587829
2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 163182330
2-(1-benzoyl-3-ethylpiperidin-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 73148945
2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 163162329
2-[(3R,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11912039
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-cyclopropylacetamide
CID 11912296
2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 73147830
2-[(3S,4S)-3-ethyl-1-(pyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 162812465
1-[(3S)-1-benzoylpiperidin-3-yl]-3-ethylurea
CID 95315387
N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 95906190

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide (CID 162804419) is 2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide is CC[C@@H]1CN(C(=O)c2ccccc2)CC[C@H]1CC(=O)NC1CCCCC1.
What is the InChIKey of 2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide?
The InChIKey is TYDVSRURAZWLCY-MJGOQNOKSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-2-17-16-24(22(26)18-9-5-3-6-10-18)14-13-19(17)15-21(25)23-20-11-7-4-8-12-20/h3,5-6,9-10,17,19-20H,2,4,7-8,11-16H2,1H3,(H,23,25)/t17-,19+/m1/s1.
What are the key properties of 2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide?
2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide has a molecular weight of 356.51 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 162804419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).