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

C26H34FN5O2 — CID 25206706

IUPACN-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC2CCC(CCN3CCC(c4noc5cc(F)ccc45)CC3)CC2)n1
InChIInChI=1S/C26H34FN5O2/c1-18-8-15-32(29-18)17-25(33)28-22-5-2-19(3-6-22)9-12-31-13-10-20(11-14-31)26-23-7-4-21(27)16-24(23)34-30-26/h4,7-8,15-16,19-20,22H,2-3,5-6,9-14,17H2,1H3,(H,28,33)
InChIKeyRLVPJHQAQHSEHQ-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.42
Rot. Bonds7

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

N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 25206706) has the molecular formula C26H34FN5O2 and a molecular weight of 467.59 g/mol. Its IUPAC name is N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID25206706
Molecular FormulaC26H34FN5O2
Molecular Weight467.59 g/mol
Exact Mass467.27
IUPAC NameN-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)NC2CCC(CCN3CCC(c4noc5cc(F)ccc45)CC3)CC2)n1
InChIInChI=1S/C26H34FN5O2/c1-18-8-15-32(29-18)17-25(33)28-22-5-2-19(3-6-22)9-12-31-13-10-20(11-14-31)26-23-7-4-21(27)16-24(23)34-30-26/h4,7-8,15-16,19-20,22H,2-3,5-6,9-14,17H2,1H3,(H,28,33)
InChIKeyRLVPJHQAQHSEHQ-UHFFFAOYSA-N
XLogP4.42
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide (CID 25206706) is N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide is Cc1ccn(CC(=O)NC2CCC(CCN3CCC(c4noc5cc(F)ccc45)CC3)CC2)n1.
What is the InChIKey of N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is RLVPJHQAQHSEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN5O2/c1-18-8-15-32(29-18)17-25(33)28-22-5-2-19(3-6-22)9-12-31-13-10-20(11-14-31)26-23-7-4-21(27)16-24(23)34-30-26/h4,7-8,15-16,19-20,22H,2-3,5-6,9-14,17H2,1H3,(H,28,33).
What are the key properties of N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 467.59 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 25206706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).