1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one

C23H25NO3 — CID 158027048

IUPAC1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one
SMILESC=CC(=O)N1CCC(Oc2cccc(-c3cccc(CC(C)=O)c3)c2)CC1
InChIInChI=1S/C23H25NO3/c1-3-23(26)24-12-10-21(11-13-24)27-22-9-5-8-20(16-22)19-7-4-6-18(15-19)14-17(2)25/h3-9,15-16,21H,1,10-14H2,2H3
InChIKeyBBZZJPZZNFGHRJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.04
Rot. Bonds6

About 1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one

1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one (PubChem CID 158027048) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one
PubChem CID158027048
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one
SMILESC=CC(=O)N1CCC(Oc2cccc(-c3cccc(CC(C)=O)c3)c2)CC1
InChIInChI=1S/C23H25NO3/c1-3-23(26)24-12-10-21(11-13-24)27-22-9-5-8-20(16-22)19-7-4-6-18(15-19)14-17(2)25/h3-9,15-16,21H,1,10-14H2,2H3
InChIKeyBBZZJPZZNFGHRJ-UHFFFAOYSA-N
XLogP4.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.04
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

N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
CID 154587112
1-[4-[3-(3-methylsulfonylphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587113
1-[4-[3-(4-methoxypyrimidin-5-yl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587199
1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one
CID 149110974
1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192
1-[4-[2-(3-bromophenyl)acetyl]piperidin-1-yl]prop-2-en-1-one
CID 171509384
N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
CID 146733338
4-[2-[(E)-3-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]-3-oxoprop-1-enyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 154968476
N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide
CID 28957115
1-[4-(3-ethylphenoxy)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 110420722
ethyl 2-(3-cyclopropyloxyphenyl)acetate
CID 114522675
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one?
The IUPAC name of 1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one (CID 158027048) is 1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one.
What is the SMILES notation for 1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one?
The canonical SMILES for 1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one is C=CC(=O)N1CCC(Oc2cccc(-c3cccc(CC(C)=O)c3)c2)CC1.
What is the InChIKey of 1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one?
The InChIKey is BBZZJPZZNFGHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-3-23(26)24-12-10-21(11-13-24)27-22-9-5-8-20(16-22)19-7-4-6-18(15-19)14-17(2)25/h3-9,15-16,21H,1,10-14H2,2H3.
What are the key properties of 1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one?
1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one has a molecular weight of 363.46 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one is sourced from PubChem (CID 158027048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).