4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one

C19H21ClN2O — CID 82151139

IUPAC4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one
SMILESO=c1cc(/C=C/c2ccc(Cl)cc2)ccn1CC1CCCNC1
InChIInChI=1S/C19H21ClN2O/c20-18-7-5-15(6-8-18)3-4-16-9-11-22(19(23)12-16)14-17-2-1-10-21-13-17/h3-9,11-12,17,21H,1-2,10,13-14H2/b4-3+
InChIKeyXMQHPWOIRWYXIF-ONEGZZNKSA-N
MW328.84 g/mol
LogP3.67
Rot. Bonds4

About 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one

4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one (PubChem CID 82151139) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one
PubChem CID82151139
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one
SMILESO=c1cc(/C=C/c2ccc(Cl)cc2)ccn1CC1CCCNC1
InChIInChI=1S/C19H21ClN2O/c20-18-7-5-15(6-8-18)3-4-16-9-11-22(19(23)12-16)14-17-2-1-10-21-13-17/h3-9,11-12,17,21H,1-2,10,13-14H2/b4-3+
InChIKeyXMQHPWOIRWYXIF-ONEGZZNKSA-N
XLogP3.67
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-2-(4-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethenesulfonamide
CID 106630787
4-[(E)-2-(3-methylphenyl)ethenyl]-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 94757606
6-cyclopropyl-2-(piperidin-3-ylmethyl)isoquinolin-1-one
CID 145201197
1-(4-chlorophenyl)-2-piperidin-3-ylethanamine
CID 116936332
6-(4-chlorophenyl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carbonitrile
CID 82147223
5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117263607
1-(3-chlorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119461402
4-fluoro-1-(piperidin-4-ylmethyl)pyridin-2-one
CID 90038622
(E)-3-(4-chlorophenyl)-N-(pyrrolidin-3-ylmethyl)prop-2-enamide
CID 80562970
1-(4-chlorophenyl)-4-(cyclohexylmethyl)pyrazine-2,3-dione
CID 163347017
N-(4-fluoro-3-methoxyphenyl)-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172660585
4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one
CID 167762843

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one?
The IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one (CID 82151139) is 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one is O=c1cc(/C=C/c2ccc(Cl)cc2)ccn1CC1CCCNC1.
What is the InChIKey of 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one?
The InChIKey is XMQHPWOIRWYXIF-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-18-7-5-15(6-8-18)3-4-16-9-11-22(19(23)12-16)14-17-2-1-10-21-13-17/h3-9,11-12,17,21H,1-2,10,13-14H2/b4-3+.
What are the key properties of 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one?
4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one has a molecular weight of 328.84 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-chlorophenyl)ethenyl]-1-(piperidin-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 82151139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).