4-(1,3-benzoxazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide

C22H25N3O2 — CID 654308

IUPAC4-(1,3-benzoxazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-15(2)16-7-9-18(10-8-16)23-22(26)25-13-11-17(12-14-25)21-24-19-5-3-4-6-20(19)27-21/h3-10,15,17H,11-14H2,1-2H3,(H,23,26)
InChIKeyNLBVXSWWQLHOSD-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.36
Rot. Bonds3

About 4-(1,3-benzoxazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide

4-(1,3-benzoxazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide (PubChem CID 654308) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
PubChem CID654308
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-15(2)16-7-9-18(10-8-16)23-22(26)25-13-11-17(12-14-25)21-24-19-5-3-4-6-20(19)27-21/h3-10,15,17H,11-14H2,1-2H3,(H,23,26)
InChIKeyNLBVXSWWQLHOSD-UHFFFAOYSA-N
XLogP5.36
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide (CID 654308) is 4-(1,3-benzoxazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?
The InChIKey is NLBVXSWWQLHOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15(2)16-7-9-18(10-8-16)23-22(26)25-13-11-17(12-14-25)21-24-19-5-3-4-6-20(19)27-21/h3-10,15,17H,11-14H2,1-2H3,(H,23,26).
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide?
4-(1,3-benzoxazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-yl)-N-(4-propan-2-ylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 654308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).