(3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone

C20H24N2O2 — CID 53150992

IUPAC(3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(CCOc3cccnc3)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-16-4-2-5-18(14-16)20(23)22-11-7-17(8-12-22)9-13-24-19-6-3-10-21-15-19/h2-6,10,14-15,17H,7-9,11-13H2,1H3
InChIKeyOBDHBHNJFXOJJM-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.71
Rot. Bonds5

About (3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone

(3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone (PubChem CID 53150992) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone
PubChem CID53150992
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCC(CCOc3cccnc3)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-16-4-2-5-18(14-16)20(23)22-11-7-17(8-12-22)9-13-24-19-6-3-10-21-15-19/h2-6,10,14-15,17H,7-9,11-13H2,1H3
InChIKeyOBDHBHNJFXOJJM-UHFFFAOYSA-N
XLogP3.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
(3-methylphenyl)-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102766
[4-[2-(3-fluorophenoxy)ethyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 53037993
2-(3-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151002
N-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151028
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
(3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
CID 141155816
2-(4-fluorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151003
2-(2-chlorophenyl)-1-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]ethanone
CID 53151004
oxalic acid;1-[4-[3-[2-(oxan-4-yl)ethoxy]benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 123342875
[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53150710
1-[4-(3-methylbenzoyl)piperazin-1-yl]-4-pyridin-3-ylbutane-1,4-dione
CID 110632670

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone (CID 53150992) is (3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone is Cc1cccc(C(=O)N2CCC(CCOc3cccnc3)CC2)c1.
What is the InChIKey of (3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone?
The InChIKey is OBDHBHNJFXOJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-4-2-5-18(14-16)20(23)22-11-7-17(8-12-22)9-13-24-19-6-3-10-21-15-19/h2-6,10,14-15,17H,7-9,11-13H2,1H3.
What are the key properties of (3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone?
(3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53150992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).