(Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one

C23H25NO3 — CID 55909786

IUPAC(Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)/C=C(/C)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H25NO3/c1-17(18-6-4-3-5-7-18)16-22(25)24-14-12-20(13-15-24)23(26)19-8-10-21(27-2)11-9-19/h3-11,16,20H,12-15H2,1-2H3/b17-16-
InChIKeyNGEIYKNOVUHWEU-MSUUIHNZSA-N
MW363.46 g/mol
LogP4.22
Rot. Bonds5

About (Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one

(Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one (PubChem CID 55909786) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one
PubChem CID55909786
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name(Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one
SMILESCOc1ccc(C(=O)C2CCN(C(=O)/C=C(/C)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H25NO3/c1-17(18-6-4-3-5-7-18)16-22(25)24-14-12-20(13-15-24)23(26)19-8-10-21(27-2)11-9-19/h3-11,16,20H,12-15H2,1-2H3/b17-16-
InChIKeyNGEIYKNOVUHWEU-MSUUIHNZSA-N
XLogP4.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 25473025
[1-(2-ethenylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 174249291
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
1-(3-aminopyrrolidin-1-yl)-3-(4-methoxyphenyl)but-2-en-1-one
CID 126790082
(E)-1-(azepan-1-yl)-3-phenylbut-2-en-1-one
CID 110297075
(E)-3-(2,4-dimethylphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]prop-2-en-1-one
CID 41308232
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 1438179
N-[3-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]acetamide
CID 25474514
[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473746
(E)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 41308316

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one?
The IUPAC name of (Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one (CID 55909786) is (Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one.
What is the SMILES notation for (Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one?
The canonical SMILES for (Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one is COc1ccc(C(=O)C2CCN(C(=O)/C=C(/C)c3ccccc3)CC2)cc1.
What is the InChIKey of (Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one?
The InChIKey is NGEIYKNOVUHWEU-MSUUIHNZSA-N. The full InChI is InChI=1S/C23H25NO3/c1-17(18-6-4-3-5-7-18)16-22(25)24-14-12-20(13-15-24)23(26)19-8-10-21(27-2)11-9-19/h3-11,16,20H,12-15H2,1-2H3/b17-16-.
What are the key properties of (Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one?
(Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one has a molecular weight of 363.46 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-phenylbut-2-en-1-one is sourced from PubChem (CID 55909786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).