2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone

C20H23ClN2O3 — CID 70786365

IUPAC2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
SMILESCc1cc(Cl)ccc1OCC(=O)N1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C20H23ClN2O3/c1-15-10-17(21)6-7-19(15)26-14-20(24)23-9-3-5-18(12-23)25-13-16-4-2-8-22-11-16/h2,4,6-8,10-11,18H,3,5,9,12-14H2,1H3
InChIKeyGDNBELNRFMMYBP-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.63
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone

2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone (PubChem CID 70786365) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
PubChem CID70786365
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
SMILESCc1cc(Cl)ccc1OCC(=O)N1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C20H23ClN2O3/c1-15-10-17(21)6-7-19(15)26-14-20(24)23-9-3-5-18(12-23)25-13-16-4-2-8-22-11-16/h2,4,6-8,10-11,18H,3,5,9,12-14H2,1H3
InChIKeyGDNBELNRFMMYBP-UHFFFAOYSA-N
XLogP3.63
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone with MolForge

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Related Compounds

(5-chloro-2-methylphenyl)-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 96577943
2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 97147487
3-ethylsulfanyl-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 91775544
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 122243477
3-(2-methylimidazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 70709835
2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone
CID 93223599
3-(4-methylpiperazin-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 90648429
2-phenylsulfanyl-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580927
2-phenylsulfanyl-1-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 96580928
(2-methoxy-4-pyridinyl)-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70710793
2-(4-aminopyrazol-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 86286203
2-(4-chloro-2-methylphenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559678

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone (CID 70786365) is 2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone is Cc1cc(Cl)ccc1OCC(=O)N1CCCC(OCc2cccnc2)C1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The InChIKey is GDNBELNRFMMYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-15-10-17(21)6-7-19(15)26-14-20(24)23-9-3-5-18(12-23)25-13-16-4-2-8-22-11-16/h2,4,6-8,10-11,18H,3,5,9,12-14H2,1H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone has a molecular weight of 374.87 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 70786365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).