2-cyclohexyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxamide

C20H27N3O3 — CID 175750263

IUPAC2-cyclohexyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxamide
SMILESCn1c(=O)oc2cc(C3CCN(C(N)=O)C(C4CCCCC4)C3)ccc21
InChIInChI=1S/C20H27N3O3/c1-22-16-8-7-14(12-18(16)26-20(22)25)15-9-10-23(19(21)24)17(11-15)13-5-3-2-4-6-13/h7-8,12-13,15,17H,2-6,9-11H2,1H3,(H2,21,24)
InChIKeyBZAPDLXSIPTNMR-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.34
Rot. Bonds2

About 2-cyclohexyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxamide

2-cyclohexyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxamide (PubChem CID 175750263) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-cyclohexyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxamide
PubChem CID175750263
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-cyclohexyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxamide
SMILESCn1c(=O)oc2cc(C3CCN(C(N)=O)C(C4CCCCC4)C3)ccc21
InChIInChI=1S/C20H27N3O3/c1-22-16-8-7-14(12-18(16)26-20(22)25)15-9-10-23(19(21)24)17(11-15)13-5-3-2-4-6-13/h7-8,12-13,15,17H,2-6,9-11H2,1H3,(H2,21,24)
InChIKeyBZAPDLXSIPTNMR-UHFFFAOYSA-N
XLogP3.34
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxamide?
The IUPAC name of 2-cyclohexyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxamide (CID 175750263) is 2-cyclohexyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxamide.
What is the SMILES notation for 2-cyclohexyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxamide?
The canonical SMILES for 2-cyclohexyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxamide is Cn1c(=O)oc2cc(C3CCN(C(N)=O)C(C4CCCCC4)C3)ccc21.
What is the InChIKey of 2-cyclohexyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxamide?
The InChIKey is BZAPDLXSIPTNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-22-16-8-7-14(12-18(16)26-20(22)25)15-9-10-23(19(21)24)17(11-15)13-5-3-2-4-6-13/h7-8,12-13,15,17H,2-6,9-11H2,1H3,(H2,21,24).
What are the key properties of 2-cyclohexyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxamide?
2-cyclohexyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-1-carboxamide is sourced from PubChem (CID 175750263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).