(Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one

C15H19FN2O — CID 129407336

IUPAC(Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one
SMILESCN[C@@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O/c1-17-14-3-2-10-18(11-14)15(19)9-6-12-4-7-13(16)8-5-12/h4-9,14,17H,2-3,10-11H2,1H3/b9-6-/t14-/m1/s1
InChIKeyDDCSQUJIDBUQII-DEBLGDTFSA-N
MW262.33 g/mol
LogP2.05
Rot. Bonds3

About (Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one

(Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one (PubChem CID 129407336) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is (Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one
PubChem CID129407336
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name(Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one
SMILESCN[C@@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FN2O/c1-17-14-3-2-10-18(11-14)15(19)9-6-12-4-7-13(16)8-5-12/h4-9,14,17H,2-3,10-11H2,1H3/b9-6-/t14-/m1/s1
InChIKeyDDCSQUJIDBUQII-DEBLGDTFSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 126784591
1-[3-(methylamino)piperidin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one
CID 76946195
(E)-3-(4-fluorophenyl)-1-(3-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 43415694
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 77015524
1-[3-(4-fluorophenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 74313258
2-[4-[(E)-3-[3-(methylamino)piperidin-1-yl]-3-oxoprop-1-enyl]phenoxy]acetamide
CID 122133625
(Z)-3-(4-fluorophenyl)-1-piperidin-1-ylprop-2-en-1-one
CID 2162232
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
N-[(3R)-1-[(Z)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]methanesulfonamide
CID 97455118
(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 94131947
1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpiperidine-3-carboxamide
CID 103195240

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of (Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one (CID 129407336) is (Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for (Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one is CN[C@@H]1CCCN(C(=O)/C=C\c2ccc(F)cc2)C1.
What is the InChIKey of (Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one?
The InChIKey is DDCSQUJIDBUQII-DEBLGDTFSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-17-14-3-2-10-18(11-14)15(19)9-6-12-4-7-13(16)8-5-12/h4-9,14,17H,2-3,10-11H2,1H3/b9-6-/t14-/m1/s1.
What are the key properties of (Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one?
(Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one has a molecular weight of 262.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluorophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 129407336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).