2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide

C23H32N2O2 — CID 15023468

IUPAC2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
SMILESO=C(NCC#CCN1CCCCC1)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C23H32N2O2/c26-22(24-16-8-11-19-25-17-9-3-10-18-25)23(27,20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1,4-5,12-13,21,27H,2-3,6-7,9-10,14-19H2,(H,24,26)
InChIKeyHICKWZPEBLSYTI-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.06
Rot. Bonds5

About 2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide

2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide (PubChem CID 15023468) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
PubChem CID15023468
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
SMILESO=C(NCC#CCN1CCCCC1)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C23H32N2O2/c26-22(24-16-8-11-19-25-17-9-3-10-18-25)23(27,20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1,4-5,12-13,21,27H,2-3,6-7,9-10,14-19H2,(H,24,26)
InChIKeyHICKWZPEBLSYTI-UHFFFAOYSA-N
XLogP3.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide
CID 14931307
2-cyclohexyl-2-hydroxy-2-phenyl-N-[4-(propan-2-ylamino)but-2-ynyl]acetamide;hydrochloride
CID 19775509
1-cyclohexyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
CID 24837075
1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol
CID 2835415
4-(azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol;hydrochloride
CID 2915878
(1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
CID 750153
2-cyclopentyl-2-hydroxy-2-phenylacetohydrazide
CID 71945316
2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 10430882
1-cyclohexyl-1-hydroxy-7-(methylamino)-1-phenylhept-5-yn-2-one
CID 15105857
2,2-dimethyl-N-(4-piperidin-1-ylbut-2-ynyl)propanamide
CID 71792630
N-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-cyclohexyl-2-hydroxy-2-phenylacetamide;hydrochloride
CID 11689131
2-cyclohexyl-2-hydroxy-N-[[3-[(4-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 11201313

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide?
The IUPAC name of 2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide (CID 15023468) is 2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide?
The canonical SMILES for 2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide is O=C(NCC#CCN1CCCCC1)C(O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide?
The InChIKey is HICKWZPEBLSYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c26-22(24-16-8-11-19-25-17-9-3-10-18-25)23(27,20-12-4-1-5-13-20)21-14-6-2-7-15-21/h1,4-5,12-13,21,27H,2-3,6-7,9-10,14-19H2,(H,24,26).
What are the key properties of 2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide?
2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide has a molecular weight of 368.52 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide is sourced from PubChem (CID 15023468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).