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

C20H23ClN2O — CID 59497100

IUPAC3-chloro-1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one
SMILESO=c1c(Cl)c(N2CCC(c3ccccc3)CC2)ccn1CC1CC1
InChIInChI=1S/C20H23ClN2O/c21-19-18(10-13-23(20(19)24)14-15-6-7-15)22-11-8-17(9-12-22)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
InChIKeyXTKQMUCOLYVCST-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.30
Rot. Bonds4

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

3-chloro-1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one (PubChem CID 59497100) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-chloro-1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one
PubChem CID59497100
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name3-chloro-1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one
SMILESO=c1c(Cl)c(N2CCC(c3ccccc3)CC2)ccn1CC1CC1
InChIInChI=1S/C20H23ClN2O/c21-19-18(10-13-23(20(19)24)14-15-6-7-15)22-11-8-17(9-12-22)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
InChIKeyXTKQMUCOLYVCST-UHFFFAOYSA-N
XLogP4.30
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
The IUPAC name of 3-chloro-1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one (CID 59497100) is 3-chloro-1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
The canonical SMILES for 3-chloro-1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one is O=c1c(Cl)c(N2CCC(c3ccccc3)CC2)ccn1CC1CC1.
What is the InChIKey of 3-chloro-1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
The InChIKey is XTKQMUCOLYVCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c21-19-18(10-13-23(20(19)24)14-15-6-7-15)22-11-8-17(9-12-22)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2.
What are the key properties of 3-chloro-1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
3-chloro-1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one has a molecular weight of 342.87 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)pyridin-2-one is sourced from PubChem (CID 59497100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).