[3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone

C19H22N2O3 — CID 136542403

IUPAC[3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone
SMILESCOc1ccccc1OC1CCCN(C(=O)c2ccncc2C)C1
InChIInChI=1S/C19H22N2O3/c1-14-12-20-10-9-16(14)19(22)21-11-5-6-15(13-21)24-18-8-4-3-7-17(18)23-2/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3
InChIKeyZFPJPPKTLSOQHM-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.08
Rot. Bonds4

About [3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone

[3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone (PubChem CID 136542403) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone
PubChem CID136542403
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone
SMILESCOc1ccccc1OC1CCCN(C(=O)c2ccncc2C)C1
InChIInChI=1S/C19H22N2O3/c1-14-12-20-10-9-16(14)19(22)21-11-5-6-15(13-21)24-18-8-4-3-7-17(18)23-2/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3
InChIKeyZFPJPPKTLSOQHM-UHFFFAOYSA-N
XLogP3.08
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 122256184
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 122256419
(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 122256291
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 122243487
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 122261212
[3-(aminomethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062936
(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267132
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 122243488
(3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129476479
[2-[1-(2-methoxybenzoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]-piperidin-1-ylmethanone
CID 91904267

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone?
The IUPAC name of [3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone (CID 136542403) is [3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone.
What is the SMILES notation for [3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone?
The canonical SMILES for [3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone is COc1ccccc1OC1CCCN(C(=O)c2ccncc2C)C1.
What is the InChIKey of [3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone?
The InChIKey is ZFPJPPKTLSOQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-12-20-10-9-16(14)19(22)21-11-5-6-15(13-21)24-18-8-4-3-7-17(18)23-2/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3.
What are the key properties of [3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone?
[3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone has a molecular weight of 326.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenoxy)piperidin-1-yl]-(3-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 136542403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).