1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone

C20H19ClN2O3 — CID 91625072

IUPAC1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC(Oc2nc3ccccc3o2)CC1
InChIInChI=1S/C20H19ClN2O3/c21-16-6-2-1-5-14(16)13-19(24)23-11-9-15(10-12-23)25-20-22-17-7-3-4-8-18(17)26-20/h1-8,15H,9-13H2
InChIKeyXHILIYSUVMTMKK-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.09
Rot. Bonds4

About 1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone

1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone (PubChem CID 91625072) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
PubChem CID91625072
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC(Oc2nc3ccccc3o2)CC1
InChIInChI=1S/C20H19ClN2O3/c21-16-6-2-1-5-14(16)13-19(24)23-11-9-15(10-12-23)25-20-22-17-7-3-4-8-18(17)26-20/h1-8,15H,9-13H2
InChIKeyXHILIYSUVMTMKK-UHFFFAOYSA-N
XLogP4.09
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]oxyacetic acid
CID 63869215
2-(2-chlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617138
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90616293
1-[4-(bromomethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80677921
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 71798913
2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 97014148
(2-chlorophenyl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate
CID 46685004
2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]oxy-1,3-benzoxazole
CID 91625081
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(5-chloro-2-methoxyphenyl)ethanone
CID 24545076
1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-2-(3,4-dichlorophenyl)ethanone
CID 171357656

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone?
The IUPAC name of 1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone (CID 91625072) is 1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone.
What is the SMILES notation for 1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone?
The canonical SMILES for 1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone is O=C(Cc1ccccc1Cl)N1CCC(Oc2nc3ccccc3o2)CC1.
What is the InChIKey of 1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone?
The InChIKey is XHILIYSUVMTMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c21-16-6-2-1-5-14(16)13-19(24)23-11-9-15(10-12-23)25-20-22-17-7-3-4-8-18(17)26-20/h1-8,15H,9-13H2.
What are the key properties of 1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone?
1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone has a molecular weight of 370.84 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzoxazol-2-yloxy)piperidin-1-yl]-2-(2-chlorophenyl)ethanone is sourced from PubChem (CID 91625072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).