N-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide

C21H24N2O — CID 11151370

IUPACN-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide
SMILESO=C(C=C1CCN(CCc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C21H24N2O/c24-21(22-20-9-5-2-6-10-20)17-19-12-15-23(16-13-19)14-11-18-7-3-1-4-8-18/h1-10,17H,11-16H2,(H,22,24)
InChIKeyDTEFHYHSGNGQPE-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.89
Rot. Bonds5

About N-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide

N-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide (PubChem CID 11151370) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide
PubChem CID11151370
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide
SMILESO=C(C=C1CCN(CCc2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C21H24N2O/c24-21(22-20-9-5-2-6-10-20)17-19-12-15-23(16-13-19)14-11-18-7-3-1-4-8-18/h1-10,17H,11-16H2,(H,22,24)
InChIKeyDTEFHYHSGNGQPE-UHFFFAOYSA-N
XLogP3.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide?
The IUPAC name of N-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide (CID 11151370) is N-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide.
What is the SMILES notation for N-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide?
The canonical SMILES for N-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide is O=C(C=C1CCN(CCc2ccccc2)CC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide?
The InChIKey is DTEFHYHSGNGQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21(22-20-9-5-2-6-10-20)17-19-12-15-23(16-13-19)14-11-18-7-3-1-4-8-18/h1-10,17H,11-16H2,(H,22,24).
What are the key properties of N-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide?
N-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide has a molecular weight of 320.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide is sourced from PubChem (CID 11151370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).