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

C21H24N2O — CID 154483778

IUPACN-phenyl-2-[1-(1-phenylethyl)piperidin-4-ylidene]acetamide
SMILESCC(c1ccccc1)N1CCC(=CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c1-17(19-8-4-2-5-9-19)23-14-12-18(13-15-23)16-21(24)22-20-10-6-3-7-11-20/h2-11,16-17H,12-15H2,1H3,(H,22,24)
InChIKeyJAAHKTJALTUEKT-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.41
Rot. Bonds4

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

N-phenyl-2-[1-(1-phenylethyl)piperidin-4-ylidene]acetamide (PubChem CID 154483778) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-phenyl-2-[1-(1-phenylethyl)piperidin-4-ylidene]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[1-(1-phenylethyl)piperidin-4-ylidene]acetamide
PubChem CID154483778
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-phenyl-2-[1-(1-phenylethyl)piperidin-4-ylidene]acetamide
SMILESCC(c1ccccc1)N1CCC(=CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c1-17(19-8-4-2-5-9-19)23-14-12-18(13-15-23)16-21(24)22-20-10-6-3-7-11-20/h2-11,16-17H,12-15H2,1H3,(H,22,24)
InChIKeyJAAHKTJALTUEKT-UHFFFAOYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.41
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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Related Compounds

N-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide
CID 11151370
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide
CID 46100821
2-[1-(1-benzhydryloxyethyl)piperidin-4-ylidene]acetic acid
CID 22150358
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
N-[4-(cyanomethyl)phenyl]-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide
CID 92757626
bis[4-(methylaminomethyl)-1-(1-phenylethyl)piperidin-4-yl] oxalate
CID 57281314
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
2-chloro-1-[4-[(1S)-1-phenylethyl]piperazin-1-yl]ethanone
CID 2050848
(2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide
CID 94537942
2-hydroxy-N-[1-(1-phenylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 110014648

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[1-(1-phenylethyl)piperidin-4-ylidene]acetamide?
The IUPAC name of N-phenyl-2-[1-(1-phenylethyl)piperidin-4-ylidene]acetamide (CID 154483778) is N-phenyl-2-[1-(1-phenylethyl)piperidin-4-ylidene]acetamide.
What is the SMILES notation for N-phenyl-2-[1-(1-phenylethyl)piperidin-4-ylidene]acetamide?
The canonical SMILES for N-phenyl-2-[1-(1-phenylethyl)piperidin-4-ylidene]acetamide is CC(c1ccccc1)N1CCC(=CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-phenyl-2-[1-(1-phenylethyl)piperidin-4-ylidene]acetamide?
The InChIKey is JAAHKTJALTUEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-17(19-8-4-2-5-9-19)23-14-12-18(13-15-23)16-21(24)22-20-10-6-3-7-11-20/h2-11,16-17H,12-15H2,1H3,(H,22,24).
What are the key properties of N-phenyl-2-[1-(1-phenylethyl)piperidin-4-ylidene]acetamide?
N-phenyl-2-[1-(1-phenylethyl)piperidin-4-ylidene]acetamide has a molecular weight of 320.44 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[1-(1-phenylethyl)piperidin-4-ylidene]acetamide is sourced from PubChem (CID 154483778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).