N-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide

C16H18N2O3 — CID 146083702

IUPACN-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide
SMILESCC#CC(=O)NC1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C16H18N2O3/c1-2-4-15(20)17-13-7-9-18(10-8-13)16(21)12-5-3-6-14(19)11-12/h3,5-6,11,13,19H,7-10H2,1H3,(H,17,20)
InChIKeyGLAFFOJWJSZMJV-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.14
Rot. Bonds2

About N-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide

N-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide (PubChem CID 146083702) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide.

Molecular Properties

Compound NameN-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide
PubChem CID146083702
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide
SMILESCC#CC(=O)NC1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C16H18N2O3/c1-2-4-15(20)17-13-7-9-18(10-8-13)16(21)12-5-3-6-14(19)11-12/h3,5-6,11,13,19H,7-10H2,1H3,(H,17,20)
InChIKeyGLAFFOJWJSZMJV-UHFFFAOYSA-N
XLogP1.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.14
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

(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-(2-methoxyethoxy)acetamide
CID 108557789
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554761
3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108558250
2-(1,3-dioxoisoindol-2-yl)-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]propanamide
CID 108551682
2,4-dichloro-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108567215
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553786
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 54986051
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558150
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558184

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide?
The IUPAC name of N-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide (CID 146083702) is N-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide.
What is the SMILES notation for N-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide?
The canonical SMILES for N-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide is CC#CC(=O)NC1CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of N-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide?
The InChIKey is GLAFFOJWJSZMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-4-15(20)17-13-7-9-18(10-8-13)16(21)12-5-3-6-14(19)11-12/h3,5-6,11,13,19H,7-10H2,1H3,(H,17,20).
What are the key properties of N-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide?
N-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide has a molecular weight of 286.33 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxybenzoyl)piperidin-4-yl]but-2-ynamide is sourced from PubChem (CID 146083702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).