1-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-[(1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethanone

C22H26FNO2 — CID 163630472

IUPAC1-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-[(1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethanone
SMILESCC1(COCC(=O)N2CCC(=Cc3cccc(F)c3)CC2)C=CC=CC1
InChIInChI=1S/C22H26FNO2/c1-22(10-3-2-4-11-22)17-26-16-21(25)24-12-8-18(9-13-24)14-19-6-5-7-20(23)15-19/h2-7,10,14-15H,8-9,11-13,16-17H2,1H3
InChIKeyHVPWPAARSDNQKR-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.37
Rot. Bonds5

About 1-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-[(1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethanone

1-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-[(1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethanone (PubChem CID 163630472) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is 1-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-[(1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethanone.

Molecular Properties

Compound Name1-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-[(1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethanone
PubChem CID163630472
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC Name1-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-[(1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethanone
SMILESCC1(COCC(=O)N2CCC(=Cc3cccc(F)c3)CC2)C=CC=CC1
InChIInChI=1S/C22H26FNO2/c1-22(10-3-2-4-11-22)17-26-16-21(25)24-12-8-18(9-13-24)14-19-6-5-7-20(23)15-19/h2-7,10,14-15H,8-9,11-13,16-17H2,1H3
InChIKeyHVPWPAARSDNQKR-UHFFFAOYSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-[(1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethanone?
The IUPAC name of 1-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-[(1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethanone (CID 163630472) is 1-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-[(1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethanone.
What is the SMILES notation for 1-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-[(1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethanone?
The canonical SMILES for 1-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-[(1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethanone is CC1(COCC(=O)N2CCC(=Cc3cccc(F)c3)CC2)C=CC=CC1.
What is the InChIKey of 1-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-[(1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethanone?
The InChIKey is HVPWPAARSDNQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-22(10-3-2-4-11-22)17-26-16-21(25)24-12-8-18(9-13-24)14-19-6-5-7-20(23)15-19/h2-7,10,14-15H,8-9,11-13,16-17H2,1H3.
What are the key properties of 1-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-[(1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethanone?
1-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-[(1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethanone has a molecular weight of 355.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-[(1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethanone is sourced from PubChem (CID 163630472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).