6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one

C21H23ClN2O2 — CID 67845427

IUPAC6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one
SMILESO=c1c2ccc(Cl)cc2on1CC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H23ClN2O2/c22-18-6-7-19-20(14-18)26-24(21(19)25)15-17-9-12-23(13-10-17)11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2
InChIKeyLPBDWQCPTXHZCI-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.20
Rot. Bonds5

About 6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one

6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one (PubChem CID 67845427) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one.

Molecular Properties

Compound Name6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one
PubChem CID67845427
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one
SMILESO=c1c2ccc(Cl)cc2on1CC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H23ClN2O2/c22-18-6-7-19-20(14-18)26-24(21(19)25)15-17-9-12-23(13-10-17)11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2
InChIKeyLPBDWQCPTXHZCI-UHFFFAOYSA-N
XLogP4.20
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one with MolForge

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Related Compounds

but-2-enedioic acid;6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one
CID 67845426
6-fluoro-2-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-3-one
CID 22068396
2-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-1,2-benzoxazol-3-one
CID 22068236
5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole
CID 67845365
1,4-bis(2-phenylethyl)piperidine
CID 86059939
3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 139023691
4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline
CID 15923232
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718
2-(1-benzylpiperidin-4-yl)-6-chloro-1,2-benzoselenazol-3-one
CID 72736553
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
6-chloro-4-[[1-(3-phenylpropyl)piperidin-4-yl]amino]chromen-2-one
CID 11837127
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one?
The IUPAC name of 6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one (CID 67845427) is 6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one.
What is the SMILES notation for 6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one?
The canonical SMILES for 6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one is O=c1c2ccc(Cl)cc2on1CC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one?
The InChIKey is LPBDWQCPTXHZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-18-6-7-19-20(14-18)26-24(21(19)25)15-17-9-12-23(13-10-17)11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2.
What are the key properties of 6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one?
6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one has a molecular weight of 370.88 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1,2-benzoxazol-3-one is sourced from PubChem (CID 67845427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).