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

C19H18ClN3O2 — CID 1430220

IUPAC4-(1,3-benzoxazol-2-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C19H18ClN3O2/c20-14-4-3-5-15(12-14)21-19(24)23-10-8-13(9-11-23)18-22-16-6-1-2-7-17(16)25-18/h1-7,12-13H,8-11H2,(H,21,24)
InChIKeyIUTILDMWJOCHNF-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.89
Rot. Bonds2

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

4-(1,3-benzoxazol-2-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide (PubChem CID 1430220) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
PubChem CID1430220
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name4-(1,3-benzoxazol-2-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C19H18ClN3O2/c20-14-4-3-5-15(12-14)21-19(24)23-10-8-13(9-11-23)18-22-16-6-1-2-7-17(16)25-18/h1-7,12-13H,8-11H2,(H,21,24)
InChIKeyIUTILDMWJOCHNF-UHFFFAOYSA-N
XLogP4.89
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.89
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-(3-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1,3-benzoxazol-2-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide (CID 1430220) is 4-(1,3-benzoxazol-2-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of 4-(1,3-benzoxazol-2-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is IUTILDMWJOCHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-14-4-3-5-15(12-14)21-19(24)23-10-8-13(9-11-23)18-22-16-6-1-2-7-17(16)25-18/h1-7,12-13H,8-11H2,(H,21,24).
What are the key properties of 4-(1,3-benzoxazol-2-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide?
4-(1,3-benzoxazol-2-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 4.89, 2 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-(3-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 1430220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).