2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide

C22H24ClN3O2 — CID 55680271

IUPAC2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESO=C(CN1CCCC(c2nc3ccccc3o2)C1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN3O2/c23-18-9-7-16(8-10-18)11-12-24-21(27)15-26-13-3-4-17(14-26)22-25-19-5-1-2-6-20(19)28-22/h1-2,5-10,17H,3-4,11-15H2,(H,24,27)
InChIKeyIHRSPFMAJQLRHY-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.02
Rot. Bonds6

About 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide

2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide (PubChem CID 55680271) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
PubChem CID55680271
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILESO=C(CN1CCCC(c2nc3ccccc3o2)C1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C22H24ClN3O2/c23-18-9-7-16(8-10-18)11-12-24-21(27)15-26-13-3-4-17(14-26)22-25-19-5-1-2-6-20(19)28-22/h1-2,5-10,17H,3-4,11-15H2,(H,24,27)
InChIKeyIHRSPFMAJQLRHY-UHFFFAOYSA-N
XLogP4.02
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 55680361
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2-phenylethyl)acetamide
CID 86881982
2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 31986183
2-[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 37076696
N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide
CID 95129574
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009367
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2586084
2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-benzyl-N-tert-butylacetamide
CID 31988858
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 87016586
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 46402825
1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119905062
4-[2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]acetyl]piperazin-2-one
CID 37079341

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide (CID 55680271) is 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide is O=C(CN1CCCC(c2nc3ccccc3o2)C1)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide?
The InChIKey is IHRSPFMAJQLRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-18-9-7-16(8-10-18)11-12-24-21(27)15-26-13-3-4-17(14-26)22-25-19-5-1-2-6-20(19)28-22/h1-2,5-10,17H,3-4,11-15H2,(H,24,27).
What are the key properties of 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide?
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide has a molecular weight of 397.91 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 55680271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).