N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide

C16H21N3O — CID 78908637

IUPACN-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H21N3O/c1-2-10-17-13-16(20)18-14-6-8-15(9-7-14)19-11-4-3-5-12-19/h1,6-9,17H,3-5,10-13H2,(H,18,20)
InChIKeyZGBXZUAWXPAOPK-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.84
Rot. Bonds5

About N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide

N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 78908637) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
PubChem CID78908637
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H21N3O/c1-2-10-17-13-16(20)18-14-6-8-15(9-7-14)19-11-4-3-5-12-19/h1,6-9,17H,3-5,10-13H2,(H,18,20)
InChIKeyZGBXZUAWXPAOPK-UHFFFAOYSA-N
XLogP1.84
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-(prop-2-ynylamino)acetamide
CID 78908561
2-(2-piperidin-1-ylethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 43816687
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286665
N-(4-fluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 28563124
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179
N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide
CID 113000164
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 37221907
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073
2-(2-morpholin-4-ylethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 43816686
N-(4-piperidin-1-ylphenyl)-2-(propan-2-ylsulfamoylamino)acetamide
CID 110606260

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide (CID 78908637) is N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is ZGBXZUAWXPAOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-10-17-13-16(20)18-14-6-8-15(9-7-14)19-11-4-3-5-12-19/h1,6-9,17H,3-5,10-13H2,(H,18,20).
What are the key properties of N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide?
N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 271.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 78908637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).