(Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one

C26H31FN2O2 — CID 58649586

IUPAC(Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C\c1ccc(OCc2ccc(F)cc2)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C26H31FN2O2/c27-23-9-4-22(5-10-23)20-31-25-11-6-21(7-12-25)8-13-26(30)29-18-14-24(15-19-29)28-16-2-1-3-17-28/h4-13,24H,1-3,14-20H2/b13-8-
InChIKeyKLLSCHYYQCGXDQ-JYRVWZFOSA-N
MW422.54 g/mol
LogP4.89
Rot. Bonds6

About (Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one

(Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one (PubChem CID 58649586) has the molecular formula C26H31FN2O2 and a molecular weight of 422.54 g/mol. Its IUPAC name is (Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one
PubChem CID58649586
Molecular FormulaC26H31FN2O2
Molecular Weight422.54 g/mol
Exact Mass422.24
IUPAC Name(Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C\c1ccc(OCc2ccc(F)cc2)cc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C26H31FN2O2/c27-23-9-4-22(5-10-23)20-31-25-11-6-21(7-12-25)8-13-26(30)29-18-14-24(15-19-29)28-16-2-1-3-17-28/h4-13,24H,1-3,14-20H2/b13-8-
InChIKeyKLLSCHYYQCGXDQ-JYRVWZFOSA-N
XLogP4.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-(azepan-1-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 724601
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488
(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 2162232
(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one
CID 21031155
(E)-1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 84561773
3-[4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 53456323
(E)-1-(4-cyclopentylpiperazin-1-yl)-3-(4-propoxyphenyl)prop-2-en-1-one
CID 55774520
(E)-1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 80546636
N'-[2-(4-fluorophenyl)acetyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbohydrazide
CID 43005507
1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 74313258
(E)-3-(4-prop-2-ynoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 170899876
(E)-1-(4-aminopiperidin-1-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 82043241

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one?
The IUPAC name of (Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one (CID 58649586) is (Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one is O=C(/C=C\c1ccc(OCc2ccc(F)cc2)cc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one?
The InChIKey is KLLSCHYYQCGXDQ-JYRVWZFOSA-N. The full InChI is InChI=1S/C26H31FN2O2/c27-23-9-4-22(5-10-23)20-31-25-11-6-21(7-12-25)8-13-26(30)29-18-14-24(15-19-29)28-16-2-1-3-17-28/h4-13,24H,1-3,14-20H2/b13-8-.
What are the key properties of (Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one?
(Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one has a molecular weight of 422.54 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1-(4-piperidin-1-ylpiperidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 58649586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).