(4-chloro-2-methylphenyl)-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]methanone

C20H21ClN2O2 — CID 24793808

IUPAC(4-chloro-2-methylphenyl)-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(C(=O)c3ccc(Cl)cc3C)C2)cn1
InChIInChI=1S/C20H21ClN2O2/c1-13-10-17(21)7-8-18(13)19(24)16-4-3-9-23(12-16)20(25)15-6-5-14(2)22-11-15/h5-8,10-11,16H,3-4,9,12H2,1-2H3
InChIKeyXIYRVWHVDJWNBZ-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.09
Rot. Bonds3

About (4-chloro-2-methylphenyl)-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]methanone

(4-chloro-2-methylphenyl)-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]methanone (PubChem CID 24793808) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]methanone
PubChem CID24793808
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name(4-chloro-2-methylphenyl)-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC(C(=O)c3ccc(Cl)cc3C)C2)cn1
InChIInChI=1S/C20H21ClN2O2/c1-13-10-17(21)7-8-18(13)19(24)16-4-3-9-23(12-16)20(25)15-6-5-14(2)22-11-15/h5-8,10-11,16H,3-4,9,12H2,1-2H3
InChIKeyXIYRVWHVDJWNBZ-UHFFFAOYSA-N
XLogP4.09
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-chloro-2-methylphenyl)-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]methanone (CID 24793808) is (4-chloro-2-methylphenyl)-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-chloro-2-methylphenyl)-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-chloro-2-methylphenyl)-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]methanone is Cc1ccc(C(=O)N2CCCC(C(=O)c3ccc(Cl)cc3C)C2)cn1.
What is the InChIKey of (4-chloro-2-methylphenyl)-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]methanone?
The InChIKey is XIYRVWHVDJWNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13-10-17(21)7-8-18(13)19(24)16-4-3-9-23(12-16)20(25)15-6-5-14(2)22-11-15/h5-8,10-11,16H,3-4,9,12H2,1-2H3.
What are the key properties of (4-chloro-2-methylphenyl)-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]methanone?
(4-chloro-2-methylphenyl)-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]methanone has a molecular weight of 356.85 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl)-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 24793808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).