N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide

C22H24N2O3 — CID 146733338

IUPACN-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
SMILESC=CC(=O)N1CCC(Oc2ccc(-c3ccc(NC(C)=O)cc3)cc2)CC1
InChIInChI=1S/C22H24N2O3/c1-3-22(26)24-14-12-21(13-15-24)27-20-10-6-18(7-11-20)17-4-8-19(9-5-17)23-16(2)25/h3-11,21H,1,12-15H2,2H3,(H,23,25)
InChIKeyRIPKPBWSKPCHEG-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.87
Rot. Bonds5

About N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide

N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide (PubChem CID 146733338) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
PubChem CID146733338
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
SMILESC=CC(=O)N1CCC(Oc2ccc(-c3ccc(NC(C)=O)cc3)cc2)CC1
InChIInChI=1S/C22H24N2O3/c1-3-22(26)24-14-12-21(13-15-24)27-20-10-6-18(7-11-20)17-4-8-19(9-5-17)23-16(2)25/h3-11,21H,1,12-15H2,2H3,(H,23,25)
InChIKeyRIPKPBWSKPCHEG-UHFFFAOYSA-N
XLogP3.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
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
N-[2-(4-cyclopentyloxyphenyl)-4-methyl-6-(1-prop-2-enoylpiperidin-4-yl)-3-pyridinyl]acetamide
CID 146676679
1-[4-[4-(2-methylsulfonylphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587085
N-(4-acetamidobenzoyl)-4-(4-chlorophenoxy)piperidine-1-carboxamide
CID 68972565
N-[4-[1-(3,5-dinitrobenzoyl)piperidin-4-yl]oxyphenyl]acetamide;methane
CID 159792863
4-[4-(1-acetylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 24732829
5-chloro-N-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]thiophene-2-sulfonamide
CID 172887363
(E)-1-[4-[4-(4-fluorophenyl)phenoxy]piperidin-1-yl]-3-[3-fluoro-5-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]prop-2-en-1-one
CID 154968403
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
4-(1-acetylpiperidin-4-yl)oxybenzaldehyde
CID 23087524
1-[3-(4-methylphenoxy)azetidin-1-yl]prop-2-en-1-one
CID 170199428
1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one
CID 149110974

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide (CID 146733338) is N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide is C=CC(=O)N1CCC(Oc2ccc(-c3ccc(NC(C)=O)cc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide?
The InChIKey is RIPKPBWSKPCHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-22(26)24-14-12-21(13-15-24)27-20-10-6-18(7-11-20)17-4-8-19(9-5-17)23-16(2)25/h3-11,21H,1,12-15H2,2H3,(H,23,25).
What are the key properties of N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide?
N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide is sourced from PubChem (CID 146733338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).