N-(4-hydroxyphenyl)-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide

C27H25N3O3 — CID 10138098

IUPACN-(4-hydroxyphenyl)-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C(=O)c2cccc(C#Cc3ccccn3)c2)CC1)Nc1ccc(O)cc1
InChIInChI=1S/C27H25N3O3/c31-25-11-9-24(10-12-25)29-26(32)19-21-13-16-30(17-14-21)27(33)22-5-3-4-20(18-22)7-8-23-6-1-2-15-28-23/h1-6,9-12,15,18,21,31H,13-14,16-17,19H2,(H,29,32)
InChIKeyZZYPNFRQRIAOSY-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.07
Rot. Bonds4

About N-(4-hydroxyphenyl)-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide

N-(4-hydroxyphenyl)-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide (PubChem CID 10138098) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide
PubChem CID10138098
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC NameN-(4-hydroxyphenyl)-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C(=O)c2cccc(C#Cc3ccccn3)c2)CC1)Nc1ccc(O)cc1
InChIInChI=1S/C27H25N3O3/c31-25-11-9-24(10-12-25)29-26(32)19-21-13-16-30(17-14-21)27(33)22-5-3-4-20(18-22)7-8-23-6-1-2-15-28-23/h1-6,9-12,15,18,21,31H,13-14,16-17,19H2,(H,29,32)
InChIKeyZZYPNFRQRIAOSY-UHFFFAOYSA-N
XLogP4.07
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

GR-55562
CID 128018
N,N-diethyl-4-((3-hydroxyphenyl)(1-(2-(pyridin-2-yl)ethyl)piperidin-4-yl)amino)benzamide
CID 45486018
3'-hydroxy-N-[4-(3-pyridinyl)butyl][1,1'-biphenyl]-4-carboxamide
CID 14570085
N-[(3-hydroxyphenyl)methyl]-4-pyridin-4-ylbenzamide
CID 134475022
4-[4-(2-fluoro-3-pyridinyl)phenyl]-N-(4-hydroxyphenyl)butanamide
CID 135335735
Casein kinase 1|A-IN-10
CID 5442100
N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 118722915
2-[2-Hydroxy-5-[(3-hydroxybenzoyl)amino]phenyl]pyridine-4-carboxylic acid
CID 136053701
2-[2-Hydroxy-5-[(2-phenylacetyl)amino]phenyl]pyridine-4-carboxylic acid
CID 136053702
N-hydroxy-3-[(E)-2-[2-(2-hydroxyphenyl)-4-pyridinyl]ethenyl]benzamide
CID 166625360
N-hydroxy-4-[(E)-2-[2-(3-hydroxyphenyl)-4-pyridinyl]ethenyl]benzamide
CID 166627726
N-{1-[(2,6-dimethylphenyl)carbamoyl]cyclohexyl}-N-(4-hydroxyphenyl)pyridine-2-carboxamide
CID 1078838

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide?
The IUPAC name of N-(4-hydroxyphenyl)-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide (CID 10138098) is N-(4-hydroxyphenyl)-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-(4-hydroxyphenyl)-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide is O=C(CC1CCN(C(=O)c2cccc(C#Cc3ccccn3)c2)CC1)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide?
The InChIKey is ZZYPNFRQRIAOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c31-25-11-9-24(10-12-25)29-26(32)19-21-13-16-30(17-14-21)27(33)22-5-3-4-20(18-22)7-8-23-6-1-2-15-28-23/h1-6,9-12,15,18,21,31H,13-14,16-17,19H2,(H,29,32).
What are the key properties of N-(4-hydroxyphenyl)-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide?
N-(4-hydroxyphenyl)-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide has a molecular weight of 439.52 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 10138098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).