6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole

C23H23ClN2O — CID 102339944

IUPAC6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole
SMILESClc1ccc2c(c1)Cc1c-2noc1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H23ClN2O/c24-19-6-7-20-18(14-19)15-21-22(20)25-27-23(21)17-9-12-26(13-10-17)11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2
InChIKeyPNYFKBSNHDNUAL-UHFFFAOYSA-N
MW378.90 g/mol
LogP5.32
Rot. Bonds4

About 6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole

6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole (PubChem CID 102339944) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is 6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole.

Molecular Properties

Compound Name6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole
PubChem CID102339944
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole
SMILESClc1ccc2c(c1)Cc1c-2noc1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H23ClN2O/c24-19-6-7-20-18(14-19)15-21-22(20)25-27-23(21)17-9-12-26(13-10-17)11-8-16-4-2-1-3-5-16/h1-7,14,17H,8-13,15H2
InChIKeyPNYFKBSNHDNUAL-UHFFFAOYSA-N
XLogP5.32
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzylpiperidin-4-yl)-6-chloro-2,4-dihydroindeno[1,2-c]pyrazole
CID 102339939
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
5-chloro-3-[[1-(2-phenylethyl)piperidin-4-yl]methoxy]-1,2-benzoxazole
CID 67845365
4-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
CID 71251956
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934
4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine
CID 54597102
3-(4-chlorophenyl)-4-methyl-5-[1-(2-phenylethyl)piperidin-2-yl]-1,2-oxazole
CID 54554145
4-chloro-2-fluoro-N-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]aniline
CID 15923232
morpholin-4-yl-[3-[1-(2-phenylethyl)piperidin-4-yl]-1,2-oxazol-5-yl]methanone
CID 92574714
5-[(3R)-1-(2-phenylethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 92574707
5-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 92574708
1-[2-(4-chlorophenyl)ethyl]-4-[3-(4-chlorophenyl)-1-phenylpyrazol-5-yl]piperidine
CID 71252011

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole?
The IUPAC name of 6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole (CID 102339944) is 6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole.
What is the SMILES notation for 6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole?
The canonical SMILES for 6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole is Clc1ccc2c(c1)Cc1c-2noc1C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole?
The InChIKey is PNYFKBSNHDNUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O/c24-19-6-7-20-18(14-19)15-21-22(20)25-27-23(21)17-9-12-26(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-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole?
6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole has a molecular weight of 378.90 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-(2-phenylethyl)piperidin-4-yl]-4H-indeno[1,2-c][1,2]oxazole is sourced from PubChem (CID 102339944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).