2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide

C23H28N2O — CID 58820394

IUPAC2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O/c1-18(2)24-22(26)17-25-15-13-21(14-16-25)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3,(H,24,26)
InChIKeyZGPJUSGWAVEJCJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.11
Rot. Bonds5

About 2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide

2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide (PubChem CID 58820394) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide
PubChem CID58820394
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O/c1-18(2)24-22(26)17-25-15-13-21(14-16-25)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3,(H,24,26)
InChIKeyZGPJUSGWAVEJCJ-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone
CID 110183664
2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate
CID 10138983
2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 59104361
2-[4-(2-methylphenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 32720430
4-benzhydrylidene-1-ethylpiperidine
CID 19370284
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
oxalic acid;N-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 651293
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-propan-2-ylacetamide
CID 37106980
1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone
CID 23383814
2-(3-phenoxyazetidin-1-yl)-N-propan-2-ylacetamide
CID 91844201
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 9223416
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 78892196

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide (CID 58820394) is 2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCC(=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is ZGPJUSGWAVEJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-18(2)24-22(26)17-25-15-13-21(14-16-25)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide?
2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 348.49 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 58820394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).