3-chloro-1-(2-methylpropyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one

C20H25ClN2O — CID 118263352

IUPAC3-chloro-1-(2-methylpropyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one
SMILESCC(C)Cn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O
InChIInChI=1S/C20H25ClN2O/c1-15(2)14-23-13-10-18(19(21)20(23)24)22-11-8-17(9-12-22)16-6-4-3-5-7-16/h3-7,10,13,15,17H,8-9,11-12,14H2,1-2H3
InChIKeyJDKWNHPOHQWVSN-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.54
Rot. Bonds4

About 3-chloro-1-(2-methylpropyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one

3-chloro-1-(2-methylpropyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one (PubChem CID 118263352) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 3-chloro-1-(2-methylpropyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-(2-methylpropyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one
PubChem CID118263352
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name3-chloro-1-(2-methylpropyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one
SMILESCC(C)Cn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O
InChIInChI=1S/C20H25ClN2O/c1-15(2)14-23-13-10-18(19(21)20(23)24)22-11-8-17(9-12-22)16-6-4-3-5-7-16/h3-7,10,13,15,17H,8-9,11-12,14H2,1-2H3
InChIKeyJDKWNHPOHQWVSN-UHFFFAOYSA-N
XLogP4.54
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-methylpropyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
The IUPAC name of 3-chloro-1-(2-methylpropyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one (CID 118263352) is 3-chloro-1-(2-methylpropyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1-(2-methylpropyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
The canonical SMILES for 3-chloro-1-(2-methylpropyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one is CC(C)Cn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O.
What is the InChIKey of 3-chloro-1-(2-methylpropyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
The InChIKey is JDKWNHPOHQWVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-15(2)14-23-13-10-18(19(21)20(23)24)22-11-8-17(9-12-22)16-6-4-3-5-7-16/h3-7,10,13,15,17H,8-9,11-12,14H2,1-2H3.
What are the key properties of 3-chloro-1-(2-methylpropyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
3-chloro-1-(2-methylpropyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one has a molecular weight of 344.89 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-methylpropyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one is sourced from PubChem (CID 118263352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).