N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide

C22H32N2O2 — CID 166232642

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ccccc2CO)CC1)NCCC1=CCCCC1
InChIInChI=1S/C22H32N2O2/c25-17-20-8-4-5-9-21(20)19-11-14-24(15-12-19)16-22(26)23-13-10-18-6-2-1-3-7-18/h4-6,8-9,19,25H,1-3,7,10-17H2,(H,23,26)
InChIKeyUEXOSYGBPLUOOC-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.37
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide (PubChem CID 166232642) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide
PubChem CID166232642
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2ccccc2CO)CC1)NCCC1=CCCCC1
InChIInChI=1S/C22H32N2O2/c25-17-20-8-4-5-9-21(20)19-11-14-24(15-12-19)16-22(26)23-13-10-18-6-2-1-3-7-18/h4-6,8-9,19,25H,1-3,7,10-17H2,(H,23,26)
InChIKeyUEXOSYGBPLUOOC-UHFFFAOYSA-N
XLogP3.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 24534438
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267549
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 17417222
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 51970015
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]acetamide
CID 55627456
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-formylpiperidin-1-yl)acetamide
CID 62655682
2-[4-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-1,4-diazepan-1-yl]-N-(2-phenylethyl)acetamide
CID 74225204
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 134011223
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684654
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694584
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435209

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide (CID 166232642) is N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide is O=C(CN1CCC(c2ccccc2CO)CC1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide?
The InChIKey is UEXOSYGBPLUOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c25-17-20-8-4-5-9-21(20)19-11-14-24(15-12-19)16-22(26)23-13-10-18-6-2-1-3-7-18/h4-6,8-9,19,25H,1-3,7,10-17H2,(H,23,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide has a molecular weight of 356.51 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-(hydroxymethyl)phenyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 166232642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).