4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one

C20H21ClN2O2 — CID 154000705

IUPAC4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one
SMILESO=C1c2cccc(OCc3ccc(Cl)cc3)c2CN1C1CCCNC1
InChIInChI=1S/C20H21ClN2O2/c21-15-8-6-14(7-9-15)13-25-19-5-1-4-17-18(19)12-23(20(17)24)16-3-2-10-22-11-16/h1,4-9,16,22H,2-3,10-13H2
InChIKeyWGFFESDSIUVJOT-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.63
Rot. Bonds4

About 4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one

4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one (PubChem CID 154000705) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one
PubChem CID154000705
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one
SMILESO=C1c2cccc(OCc3ccc(Cl)cc3)c2CN1C1CCCNC1
InChIInChI=1S/C20H21ClN2O2/c21-15-8-6-14(7-9-15)13-25-19-5-1-4-17-18(19)12-23(20(17)24)16-3-2-10-22-11-16/h1,4-9,16,22H,2-3,10-13H2
InChIKeyWGFFESDSIUVJOT-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-3-yl-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one
CID 123315267
4-[(4-chlorophenyl)methoxy]-2-methyl-3H-isoindol-1-one
CID 156892057
3-[7-[[4-(bromomethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 58389196
4-fluoro-2-[(3R)-pyrrolidin-3-yl]-3H-isoindol-1-one;hydrochloride
CID 86276896
2-oxo-2-[5-[3-oxo-7-[[4-(trifluoromethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidin-2-yl]acetaldehyde
CID 174665320
4-(2-amino-1-phenylethoxy)-2-piperidin-3-yl-3H-isoindol-1-one;ethylcyclobutane
CID 174677393
4-[2-[2-(2-aminoethoxy)ethoxy]ethylsulfonyl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 175716605
(3S)-3-[7-[(4-methylphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]azepane-2,7-dione
CID 155007600
2-[5-[7-[[4-[(2-hydroxyethylamino)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidin-2-yl]-2-oxoacetaldehyde
CID 175275807
5-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 2152029
[4-[[1-oxo-2-(2-oxoazepan-3-yl)-3H-isoindol-4-yl]oxymethyl]phenyl]methylcarbamic acid
CID 175025203
3-[7-[[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154605417

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one (CID 154000705) is 4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one is O=C1c2cccc(OCc3ccc(Cl)cc3)c2CN1C1CCCNC1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one?
The InChIKey is WGFFESDSIUVJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-15-8-6-14(7-9-15)13-25-19-5-1-4-17-18(19)12-23(20(17)24)16-3-2-10-22-11-16/h1,4-9,16,22H,2-3,10-13H2.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one?
4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one has a molecular weight of 356.85 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one is sourced from PubChem (CID 154000705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).