4-[1-(2-fluoroprop-2-enoyl)piperidin-4-yl]-2-(5-phenoxy-2-pyridinyl)benzamide

C26H24FN3O3 — CID 163208528

IUPAC4-[1-(2-fluoroprop-2-enoyl)piperidin-4-yl]-2-(5-phenoxy-2-pyridinyl)benzamide
SMILESC=C(F)C(=O)N1CCC(c2ccc(C(N)=O)c(-c3ccc(Oc4ccccc4)cn3)c2)CC1
InChIInChI=1S/C26H24FN3O3/c1-17(27)26(32)30-13-11-18(12-14-30)19-7-9-22(25(28)31)23(15-19)24-10-8-21(16-29-24)33-20-5-3-2-4-6-20/h2-10,15-16,18H,1,11-14H2,(H2,28,31)
InChIKeyHJTFHDFPRRICBE-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.83
Rot. Bonds6

About 4-[1-(2-fluoroprop-2-enoyl)piperidin-4-yl]-2-(5-phenoxy-2-pyridinyl)benzamide

4-[1-(2-fluoroprop-2-enoyl)piperidin-4-yl]-2-(5-phenoxy-2-pyridinyl)benzamide (PubChem CID 163208528) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is 4-[1-(2-fluoroprop-2-enoyl)piperidin-4-yl]-2-(5-phenoxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[1-(2-fluoroprop-2-enoyl)piperidin-4-yl]-2-(5-phenoxy-2-pyridinyl)benzamide
PubChem CID163208528
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC Name4-[1-(2-fluoroprop-2-enoyl)piperidin-4-yl]-2-(5-phenoxy-2-pyridinyl)benzamide
SMILESC=C(F)C(=O)N1CCC(c2ccc(C(N)=O)c(-c3ccc(Oc4ccccc4)cn3)c2)CC1
InChIInChI=1S/C26H24FN3O3/c1-17(27)26(32)30-13-11-18(12-14-30)19-7-9-22(25(28)31)23(15-19)24-10-8-21(16-29-24)33-20-5-3-2-4-6-20/h2-10,15-16,18H,1,11-14H2,(H2,28,31)
InChIKeyHJTFHDFPRRICBE-UHFFFAOYSA-N
XLogP4.83
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-aminopiperidin-1-yl)-2-(5-phenoxy-2-pyridinyl)benzamide
CID 163208529
4-chloro-2-(5-phenoxy-2-pyridinyl)benzamide
CID 163208536
4-[4-(2-chloroprop-2-enoylamino)piperidin-1-yl]-2-(5-phenoxy-2-pyridinyl)benzamide
CID 163208534
[4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone
CID 166180817
[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 139416324
4-(4-phenoxyphenoxy)-2-(1-prop-2-enoylpyrrolidin-3-yl)pyrimidine-5-carboxamide
CID 118038190
6-(4-cyclopropylphenoxy)-5-fluoropyridine-3-carboxamide
CID 146305985
(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate
CID 15225155
2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 146929608
2-(4-phenoxyphenoxy)-5-[(3R)-1-propanoylpiperidin-3-yl]pyridine-3-carboxamide
CID 156613436
5-[(1-but-2-enoylpyrrolidin-3-yl)amino]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 123730016
5-chloro-2-(4-phenylpiperidine-1-carbonyl)benzamide
CID 68831202

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluoroprop-2-enoyl)piperidin-4-yl]-2-(5-phenoxy-2-pyridinyl)benzamide?
The IUPAC name of 4-[1-(2-fluoroprop-2-enoyl)piperidin-4-yl]-2-(5-phenoxy-2-pyridinyl)benzamide (CID 163208528) is 4-[1-(2-fluoroprop-2-enoyl)piperidin-4-yl]-2-(5-phenoxy-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[1-(2-fluoroprop-2-enoyl)piperidin-4-yl]-2-(5-phenoxy-2-pyridinyl)benzamide?
The canonical SMILES for 4-[1-(2-fluoroprop-2-enoyl)piperidin-4-yl]-2-(5-phenoxy-2-pyridinyl)benzamide is C=C(F)C(=O)N1CCC(c2ccc(C(N)=O)c(-c3ccc(Oc4ccccc4)cn3)c2)CC1.
What is the InChIKey of 4-[1-(2-fluoroprop-2-enoyl)piperidin-4-yl]-2-(5-phenoxy-2-pyridinyl)benzamide?
The InChIKey is HJTFHDFPRRICBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-17(27)26(32)30-13-11-18(12-14-30)19-7-9-22(25(28)31)23(15-19)24-10-8-21(16-29-24)33-20-5-3-2-4-6-20/h2-10,15-16,18H,1,11-14H2,(H2,28,31).
What are the key properties of 4-[1-(2-fluoroprop-2-enoyl)piperidin-4-yl]-2-(5-phenoxy-2-pyridinyl)benzamide?
4-[1-(2-fluoroprop-2-enoyl)piperidin-4-yl]-2-(5-phenoxy-2-pyridinyl)benzamide has a molecular weight of 445.49 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluoroprop-2-enoyl)piperidin-4-yl]-2-(5-phenoxy-2-pyridinyl)benzamide is sourced from PubChem (CID 163208528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).