(4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone

C22H28N2O2 — CID 138473800

IUPAC(4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone
SMILESCc1cc(C(=O)N2CCC(C)(c3ccccc3)CC2)cnc1OC(C)C
InChIInChI=1S/C22H28N2O2/c1-16(2)26-20-17(3)14-18(15-23-20)21(25)24-12-10-22(4,11-13-24)19-8-6-5-7-9-19/h5-9,14-16H,10-13H2,1-4H3
InChIKeyJCDDCIZSJFRIEZ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.37
Rot. Bonds4

About (4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone

(4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone (PubChem CID 138473800) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone
PubChem CID138473800
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone
SMILESCc1cc(C(=O)N2CCC(C)(c3ccccc3)CC2)cnc1OC(C)C
InChIInChI=1S/C22H28N2O2/c1-16(2)26-20-17(3)14-18(15-23-20)21(25)24-12-10-22(4,11-13-24)19-8-6-5-7-9-19/h5-9,14-16H,10-13H2,1-4H3
InChIKeyJCDDCIZSJFRIEZ-UHFFFAOYSA-N
XLogP4.37
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone?
The IUPAC name of (4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone (CID 138473800) is (4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone.
What is the SMILES notation for (4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone?
The canonical SMILES for (4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone is Cc1cc(C(=O)N2CCC(C)(c3ccccc3)CC2)cnc1OC(C)C.
What is the InChIKey of (4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone?
The InChIKey is JCDDCIZSJFRIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16(2)26-20-17(3)14-18(15-23-20)21(25)24-12-10-22(4,11-13-24)19-8-6-5-7-9-19/h5-9,14-16H,10-13H2,1-4H3.
What are the key properties of (4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone?
(4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone has a molecular weight of 352.48 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-4-phenylpiperidin-1-yl)-(5-methyl-6-propan-2-yloxy-3-pyridinyl)methanone is sourced from PubChem (CID 138473800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).