N-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide

C15H18N2O — CID 43602137

IUPACN-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide
SMILESCN(C(=O)C#Cc1ccccc1)C1CCNCC1
InChIInChI=1S/C15H18N2O/c1-17(14-9-11-16-12-10-14)15(18)8-7-13-5-3-2-4-6-13/h2-6,14,16H,9-12H2,1H3
InChIKeyAPGITEAKLFNBBN-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.25
Rot. Bonds1

About N-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide

N-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide (PubChem CID 43602137) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide
PubChem CID43602137
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide
SMILESCN(C(=O)C#Cc1ccccc1)C1CCNCC1
InChIInChI=1S/C15H18N2O/c1-17(14-9-11-16-12-10-14)15(18)8-7-13-5-3-2-4-6-13/h2-6,14,16H,9-12H2,1H3
InChIKeyAPGITEAKLFNBBN-UHFFFAOYSA-N
XLogP1.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide?
The IUPAC name of N-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide (CID 43602137) is N-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide.
What is the SMILES notation for N-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide?
The canonical SMILES for N-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide is CN(C(=O)C#Cc1ccccc1)C1CCNCC1.
What is the InChIKey of N-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide?
The InChIKey is APGITEAKLFNBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17(14-9-11-16-12-10-14)15(18)8-7-13-5-3-2-4-6-13/h2-6,14,16H,9-12H2,1H3.
What are the key properties of N-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide?
N-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide has a molecular weight of 242.32 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-piperidin-4-ylprop-2-ynamide is sourced from PubChem (CID 43602137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).