2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide

C23H34N4O2 — CID 172851850

IUPAC2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
SMILESCc1ccc2onc(N3CCN(CCC4CCC(C(C)C(N)=O)CC4)CC3)c2c1
InChIInChI=1S/C23H34N4O2/c1-16-3-8-21-20(15-16)23(25-29-21)27-13-11-26(12-14-27)10-9-18-4-6-19(7-5-18)17(2)22(24)28/h3,8,15,17-19H,4-7,9-14H2,1-2H3,(H2,24,28)
InChIKeyYEEGUJRJJQLDEH-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.58
Rot. Bonds6

About 2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide

2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide (PubChem CID 172851850) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide.

Molecular Properties

Compound Name2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
PubChem CID172851850
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide
SMILESCc1ccc2onc(N3CCN(CCC4CCC(C(C)C(N)=O)CC4)CC3)c2c1
InChIInChI=1S/C23H34N4O2/c1-16-3-8-21-20(15-16)23(25-29-21)27-13-11-26(12-14-27)10-9-18-4-6-19(7-5-18)17(2)22(24)28/h3,8,15,17-19H,4-7,9-14H2,1-2H3,(H2,24,28)
InChIKeyYEEGUJRJJQLDEH-UHFFFAOYSA-N
XLogP3.58
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?
The IUPAC name of 2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide (CID 172851850) is 2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide.
What is the SMILES notation for 2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?
The canonical SMILES for 2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide is Cc1ccc2onc(N3CCN(CCC4CCC(C(C)C(N)=O)CC4)CC3)c2c1.
What is the InChIKey of 2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?
The InChIKey is YEEGUJRJJQLDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-16-3-8-21-20(15-16)23(25-29-21)27-13-11-26(12-14-27)10-9-18-4-6-19(7-5-18)17(2)22(24)28/h3,8,15,17-19H,4-7,9-14H2,1-2H3,(H2,24,28).
What are the key properties of 2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide?
2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide has a molecular weight of 398.55 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(5-methyl-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]propanamide is sourced from PubChem (CID 172851850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).