N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide

C23H33N3O2 — CID 25205753

IUPACN-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(CCN2CCC(c3noc4cc(C)ccc34)CC2)CC1
InChIInChI=1S/C23H33N3O2/c1-16-3-8-21-22(15-16)28-25-23(21)19-10-13-26(14-11-19)12-9-18-4-6-20(7-5-18)24-17(2)27/h3,8,15,18-20H,4-7,9-14H2,1-2H3,(H,24,27)
InChIKeyFJCLYLWFKWDKEV-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.40
Rot. Bonds5

About N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide

N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (PubChem CID 25205753) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
PubChem CID25205753
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(CCN2CCC(c3noc4cc(C)ccc34)CC2)CC1
InChIInChI=1S/C23H33N3O2/c1-16-3-8-21-22(15-16)28-25-23(21)19-10-13-26(14-11-19)12-9-18-4-6-20(7-5-18)24-17(2)27/h3,8,15,18-20H,4-7,9-14H2,1-2H3,(H,24,27)
InChIKeyFJCLYLWFKWDKEV-UHFFFAOYSA-N
XLogP4.40
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (CID 25205753) is N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is CC(=O)NC1CCC(CCN2CCC(c3noc4cc(C)ccc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
The InChIKey is FJCLYLWFKWDKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-16-3-8-21-22(15-16)28-25-23(21)19-10-13-26(14-11-19)12-9-18-4-6-20(7-5-18)24-17(2)27/h3,8,15,18-20H,4-7,9-14H2,1-2H3,(H,24,27).
What are the key properties of N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?
N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 383.54 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 25205753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).