2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-piperazin-1-ylethanone

C18H23ClN4O2 — CID 154571204

IUPAC2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-piperazin-1-ylethanone
SMILESO=C(CC1CCCN(c2nc3ccc(Cl)cc3o2)C1)N1CCNCC1
InChIInChI=1S/C18H23ClN4O2/c19-14-3-4-15-16(11-14)25-18(21-15)23-7-1-2-13(12-23)10-17(24)22-8-5-20-6-9-22/h3-4,11,13,20H,1-2,5-10,12H2
InChIKeyMZFQEBBUMFOLGL-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.52
Rot. Bonds3

About 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-piperazin-1-ylethanone

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-piperazin-1-ylethanone (PubChem CID 154571204) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-piperazin-1-ylethanone
PubChem CID154571204
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-piperazin-1-ylethanone
SMILESO=C(CC1CCCN(c2nc3ccc(Cl)cc3o2)C1)N1CCNCC1
InChIInChI=1S/C18H23ClN4O2/c19-14-3-4-15-16(11-14)25-18(21-15)23-7-1-2-13(12-23)10-17(24)22-8-5-20-6-9-22/h3-4,11,13,20H,1-2,5-10,12H2
InChIKeyMZFQEBBUMFOLGL-UHFFFAOYSA-N
XLogP2.52
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.52
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-piperazin-1-ylethanone?
The IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-piperazin-1-ylethanone (CID 154571204) is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-piperazin-1-ylethanone is O=C(CC1CCCN(c2nc3ccc(Cl)cc3o2)C1)N1CCNCC1.
What is the InChIKey of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-piperazin-1-ylethanone?
The InChIKey is MZFQEBBUMFOLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c19-14-3-4-15-16(11-14)25-18(21-15)23-7-1-2-13(12-23)10-17(24)22-8-5-20-6-9-22/h3-4,11,13,20H,1-2,5-10,12H2.
What are the key properties of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-piperazin-1-ylethanone?
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-piperazin-1-ylethanone has a molecular weight of 362.86 g/mol, XLogP of 2.52, 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-piperazin-1-ylethanone is sourced from PubChem (CID 154571204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).