2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone

C20H23N3O3 — CID 141064604

IUPAC2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
SMILESO=C(CNc1ccc2c(c1)OCN2)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C20H23N3O3/c24-20(13-21-15-6-7-18-19(12-15)25-14-22-18)23-10-8-17(9-11-23)26-16-4-2-1-3-5-16/h1-7,12,17,21-22H,8-11,13-14H2
InChIKeyZIDJJGHPBMZQDO-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.93
Rot. Bonds5

About 2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone

2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone (PubChem CID 141064604) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
PubChem CID141064604
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
SMILESO=C(CNc1ccc2c(c1)OCN2)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C20H23N3O3/c24-20(13-21-15-6-7-18-19(12-15)25-14-22-18)23-10-8-17(9-11-23)26-16-4-2-1-3-5-16/h1-7,12,17,21-22H,8-11,13-14H2
InChIKeyZIDJJGHPBMZQDO-UHFFFAOYSA-N
XLogP2.93
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(tert-butylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 78986936
2-(cyclopropylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 60858362
2-(butan-2-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone
CID 60858856
1-(4-phenoxypiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 79287472
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
2-ethoxy-1-(4-phenoxypiperidin-1-yl)ethanone
CID 61381248
2-(1,3-benzodioxol-5-ylamino)-1-piperidin-1-ylethanone
CID 28586266
5-bromo-1-(4-phenoxypiperidin-1-yl)pentan-1-one
CID 107909079
2-anilino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82695740
4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)acetyl]piperazine-1-carbaldehyde
CID 108996028
(1-aminocyclopropyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725071
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone (CID 141064604) is 2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone is O=C(CNc1ccc2c(c1)OCN2)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of 2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone?
The InChIKey is ZIDJJGHPBMZQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-20(13-21-15-6-7-18-19(12-15)25-14-22-18)23-10-8-17(9-11-23)26-16-4-2-1-3-5-16/h1-7,12,17,21-22H,8-11,13-14H2.
What are the key properties of 2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone?
2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone has a molecular weight of 353.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,3-benzoxazol-6-ylamino)-1-(4-phenoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 141064604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).