2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide

C23H33N3O2 — CID 14931307

IUPAC2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide
SMILESCN1CCN(CC#CCNC(=O)C(O)(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C23H33N3O2/c1-25-16-18-26(19-17-25)15-9-8-14-24-22(27)23(28,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2,4-5,10-11,21,28H,3,6-7,12-19H2,1H3,(H,24,27)
InChIKeyDCDFZVAUHFUKNI-UHFFFAOYSA-N
MW383.54 g/mol
LogP1.82
Rot. Bonds5

About 2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide

2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide (PubChem CID 14931307) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide
PubChem CID14931307
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide
SMILESCN1CCN(CC#CCNC(=O)C(O)(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C23H33N3O2/c1-25-16-18-26(19-17-25)15-9-8-14-24-22(27)23(28,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2,4-5,10-11,21,28H,3,6-7,12-19H2,1H3,(H,24,27)
InChIKeyDCDFZVAUHFUKNI-UHFFFAOYSA-N
XLogP1.82
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
CID 15023468
2-cyclohexyl-2-hydroxy-2-phenyl-N-[4-(propan-2-ylamino)but-2-ynyl]acetamide;hydrochloride
CID 19775509
1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride
CID 5309456
1-cyclopentyl-1-hydroxy-3-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-phenylpropan-2-one
CID 59842499
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
1-cyclohexyl-1-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenylpropan-2-one
CID 10247985
2-cyclopentyl-2-hydroxy-2-phenylacetohydrazide
CID 71945316
N-(3-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-hydroxy-2-phenylacetamide
CID 10067773
2-cyclohexyl-2-hydroxy-N-[[3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-phenylacetamide
CID 10430882
(1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
CID 750153

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide?
The IUPAC name of 2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide (CID 14931307) is 2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide.
What is the SMILES notation for 2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide?
The canonical SMILES for 2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide is CN1CCN(CC#CCNC(=O)C(O)(c2ccccc2)C2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide?
The InChIKey is DCDFZVAUHFUKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-25-16-18-26(19-17-25)15-9-8-14-24-22(27)23(28,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2,4-5,10-11,21,28H,3,6-7,12-19H2,1H3,(H,24,27).
What are the key properties of 2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide?
2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide has a molecular weight of 383.54 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide is sourced from PubChem (CID 14931307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).