2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide

C23H28N2O3 — CID 54271471

IUPAC2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide
SMILESCOc1ccc(C(=C2CCN(CCOCC(N)=O)CC2)c2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-27-21-9-7-19(8-10-21)23(18-5-3-2-4-6-18)20-11-13-25(14-12-20)15-16-28-17-22(24)26/h2-10H,11-17H2,1H3,(H2,24,26)
InChIKeyRKLBVQUXOJCUDX-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.09
Rot. Bonds8

About 2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide

2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide (PubChem CID 54271471) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide
PubChem CID54271471
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide
SMILESCOc1ccc(C(=C2CCN(CCOCC(N)=O)CC2)c2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-27-21-9-7-19(8-10-21)23(18-5-3-2-4-6-18)20-11-13-25(14-12-20)15-16-28-17-22(24)26/h2-10H,11-17H2,1H3,(H2,24,26)
InChIKeyRKLBVQUXOJCUDX-UHFFFAOYSA-N
XLogP3.09
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[(4-chlorophenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetic acid
CID 54424990
4-benzhydrylidene-1-[3-(4-propan-2-ylphenoxy)propyl]piperidine
CID 46172910
4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one
CID 59641773
4-[2-(4-benzhydrylidenepiperidin-1-yl)ethoxymethyl]pyridine
CID 139685650
4-[(4-fluorophenyl)-phenylmethylidene]-1-propylpiperidine
CID 123768930
4-benzhydrylidene-1-ethylpiperidine
CID 19370284
1-[cyclopropylidene-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 11218918
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
CID 10598845
3-(4-benzoylpiperazin-1-yl)-1-[4-(4-methoxyphenoxy)phenyl]propan-1-one;dihydrochloride
CID 18362769
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide?
The IUPAC name of 2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide (CID 54271471) is 2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide?
The canonical SMILES for 2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide is COc1ccc(C(=C2CCN(CCOCC(N)=O)CC2)c2ccccc2)cc1.
What is the InChIKey of 2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide?
The InChIKey is RKLBVQUXOJCUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-27-21-9-7-19(8-10-21)23(18-5-3-2-4-6-18)20-11-13-25(14-12-20)15-16-28-17-22(24)26/h2-10H,11-17H2,1H3,(H2,24,26).
What are the key properties of 2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide?
2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(4-methoxyphenyl)-phenylmethylidene]piperidin-1-yl]ethoxy]acetamide is sourced from PubChem (CID 54271471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).