(1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone

C20H24N2O — CID 14885588

IUPAC(1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone
SMILESCN1CCC(C(=O)c2ncccc2CCc2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-22-14-11-18(12-15-22)20(23)19-17(8-5-13-21-19)10-9-16-6-3-2-4-7-16/h2-8,13,18H,9-12,14-15H2,1H3
InChIKeyVITZYSGHNVKSQW-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.39
Rot. Bonds5

About (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone

(1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone (PubChem CID 14885588) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone
PubChem CID14885588
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone
SMILESCN1CCC(C(=O)c2ncccc2CCc2ccccc2)CC1
InChIInChI=1S/C20H24N2O/c1-22-14-11-18(12-15-22)20(23)19-17(8-5-13-21-19)10-9-16-6-3-2-4-7-16/h2-8,13,18H,9-12,14-15H2,1H3
InChIKeyVITZYSGHNVKSQW-UHFFFAOYSA-N
XLogP3.39
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone?
The IUPAC name of (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone (CID 14885588) is (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone.
What is the SMILES notation for (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone?
The canonical SMILES for (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone is CN1CCC(C(=O)c2ncccc2CCc2ccccc2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone?
The InChIKey is VITZYSGHNVKSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-22-14-11-18(12-15-22)20(23)19-17(8-5-13-21-19)10-9-16-6-3-2-4-7-16/h2-8,13,18H,9-12,14-15H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone?
(1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone has a molecular weight of 308.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)-[3-(2-phenylethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 14885588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).