(E)-3-(2-phenylpyrimidin-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one

C24H23N3O — CID 55838600

IUPAC(E)-3-(2-phenylpyrimidin-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cnc(-c2ccccc2)nc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H23N3O/c28-23(20-10-12-22(13-11-20)27-15-5-2-6-16-27)14-9-19-17-25-24(26-18-19)21-7-3-1-4-8-21/h1,3-4,7-14,17-18H,2,5-6,15-16H2/b14-9+
InChIKeyOWYVBYQNGQDLAD-NTEUORMPSA-N
MW369.47 g/mol
LogP5.03
Rot. Bonds5

About (E)-3-(2-phenylpyrimidin-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one

(E)-3-(2-phenylpyrimidin-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one (PubChem CID 55838600) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is (E)-3-(2-phenylpyrimidin-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(2-phenylpyrimidin-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
PubChem CID55838600
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name(E)-3-(2-phenylpyrimidin-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1cnc(-c2ccccc2)nc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H23N3O/c28-23(20-10-12-22(13-11-20)27-15-5-2-6-16-27)14-9-19-17-25-24(26-18-19)21-7-3-1-4-8-21/h1,3-4,7-14,17-18H,2,5-6,15-16H2/b14-9+
InChIKeyOWYVBYQNGQDLAD-NTEUORMPSA-N
XLogP5.03
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-pyridin-4-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-en-1-one
CID 6108529
(E)-3-(2-fluorophenyl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 19560783
(E)-1-(4-piperidin-1-ylphenyl)-3-quinolin-4-ylprop-2-en-1-one
CID 19560920
(2E,4Z)-4-chloro-5-phenyl-1-(4-piperidin-1-ylphenyl)penta-2,4-dien-1-one
CID 19560944
(E)-3-(5-benzylthiophen-2-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 19560916
(E)-1-(4-methylsulfanylphenyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-en-1-one
CID 155385825
(E)-3-(3-chloro-4-hydroxyphenyl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 52771916
(E)-3-[5-[(E)-3-[4-(4-benzylpiperazin-1-yl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enoic acid
CID 67049516
1-(1-ethylpyrazol-4-yl)-3-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 76871051
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
(E)-3-[4-methoxy-3-[(2-methylphenoxy)methyl]phenyl]-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one
CID 19560763
1-(4-phenylphenyl)-3-piperidin-1-ylprop-2-en-1-one
CID 1322238

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-phenylpyrimidin-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(2-phenylpyrimidin-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one (CID 55838600) is (E)-3-(2-phenylpyrimidin-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(2-phenylpyrimidin-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(2-phenylpyrimidin-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one is O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of (E)-3-(2-phenylpyrimidin-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one?
The InChIKey is OWYVBYQNGQDLAD-NTEUORMPSA-N. The full InChI is InChI=1S/C24H23N3O/c28-23(20-10-12-22(13-11-20)27-15-5-2-6-16-27)14-9-19-17-25-24(26-18-19)21-7-3-1-4-8-21/h1,3-4,7-14,17-18H,2,5-6,15-16H2/b14-9+.
What are the key properties of (E)-3-(2-phenylpyrimidin-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one?
(E)-3-(2-phenylpyrimidin-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one has a molecular weight of 369.47 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-phenylpyrimidin-5-yl)-1-(4-piperidin-1-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 55838600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).