4-(2-piperidin-1-ylphenyl)but-3-ynamide

C15H18N2O — CID 170473848

IUPAC4-(2-piperidin-1-ylphenyl)but-3-ynamide
SMILESNC(=O)CC#Cc1ccccc1N1CCCCC1
InChIInChI=1S/C15H18N2O/c16-15(18)10-6-8-13-7-2-3-9-14(13)17-11-4-1-5-12-17/h2-3,7,9H,1,4-5,10-12H2,(H2,16,18)
InChIKeyBHUJFTHKTXXTTD-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.90
Rot. Bonds2

About 4-(2-piperidin-1-ylphenyl)but-3-ynamide

4-(2-piperidin-1-ylphenyl)but-3-ynamide (PubChem CID 170473848) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylphenyl)but-3-ynamide.

Molecular Properties

Compound Name4-(2-piperidin-1-ylphenyl)but-3-ynamide
PubChem CID170473848
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name4-(2-piperidin-1-ylphenyl)but-3-ynamide
SMILESNC(=O)CC#Cc1ccccc1N1CCCCC1
InChIInChI=1S/C15H18N2O/c16-15(18)10-6-8-13-7-2-3-9-14(13)17-11-4-1-5-12-17/h2-3,7,9H,1,4-5,10-12H2,(H2,16,18)
InChIKeyBHUJFTHKTXXTTD-UHFFFAOYSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-piperidin-1-ylphenyl)but-3-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-3-(2-piperidin-1-ylphenyl)propanamide
CID 140821391
4-(2,3-dimethylphenyl)but-3-ynamide
CID 170472579
4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide
CID 68545719
4-(2-propan-2-yloxyphenyl)but-3-ynamide
CID 170473356
4-(3-amino-2-methylphenyl)but-3-ynamide
CID 170472767
2-(2-piperidin-1-ylphenyl)acetohydrazide
CID 10847264
carbamic acid;1-phenylpiperidine
CID 161473217
3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 43777430
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide
CID 47055802
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
3-amino-3-(2-piperidin-1-ylphenyl)propanoic acid
CID 117374279
1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide
CID 22132350

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylphenyl)but-3-ynamide?
The IUPAC name of 4-(2-piperidin-1-ylphenyl)but-3-ynamide (CID 170473848) is 4-(2-piperidin-1-ylphenyl)but-3-ynamide.
What is the SMILES notation for 4-(2-piperidin-1-ylphenyl)but-3-ynamide?
The canonical SMILES for 4-(2-piperidin-1-ylphenyl)but-3-ynamide is NC(=O)CC#Cc1ccccc1N1CCCCC1.
What is the InChIKey of 4-(2-piperidin-1-ylphenyl)but-3-ynamide?
The InChIKey is BHUJFTHKTXXTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-15(18)10-6-8-13-7-2-3-9-14(13)17-11-4-1-5-12-17/h2-3,7,9H,1,4-5,10-12H2,(H2,16,18).
What are the key properties of 4-(2-piperidin-1-ylphenyl)but-3-ynamide?
4-(2-piperidin-1-ylphenyl)but-3-ynamide has a molecular weight of 242.32 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylphenyl)but-3-ynamide is sourced from PubChem (CID 170473848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).