2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone

C19H24ClN3O3 — CID 154565362

IUPAC2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CC1CCCN(c2nc3ccc(Cl)cc3o2)C1)N1CCC(O)CC1
InChIInChI=1S/C19H24ClN3O3/c20-14-3-4-16-17(11-14)26-19(21-16)23-7-1-2-13(12-23)10-18(25)22-8-5-15(24)6-9-22/h3-4,11,13,15,24H,1-2,5-10,12H2
InChIKeyBXBYGJBUGZBDEZ-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.07
Rot. Bonds3

About 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 154565362) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID154565362
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CC1CCCN(c2nc3ccc(Cl)cc3o2)C1)N1CCC(O)CC1
InChIInChI=1S/C19H24ClN3O3/c20-14-3-4-16-17(11-14)26-19(21-16)23-7-1-2-13(12-23)10-18(25)22-8-5-15(24)6-9-22/h3-4,11,13,15,24H,1-2,5-10,12H2
InChIKeyBXBYGJBUGZBDEZ-UHFFFAOYSA-N
XLogP3.07
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone (CID 154565362) is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone is O=C(CC1CCCN(c2nc3ccc(Cl)cc3o2)C1)N1CCC(O)CC1.
What is the InChIKey of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is BXBYGJBUGZBDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c20-14-3-4-16-17(11-14)26-19(21-16)23-7-1-2-13(12-23)10-18(25)22-8-5-15(24)6-9-22/h3-4,11,13,15,24H,1-2,5-10,12H2.
What are the key properties of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone?
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 377.87 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 154565362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).