N-(4-chlorophenyl)-1-[3-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide

C22H20ClN3O3 — CID 71681721

IUPACN-(4-chlorophenyl)-1-[3-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc(-c3cnco3)c2)C1
InChIInChI=1S/C22H20ClN3O3/c23-18-6-8-19(9-7-18)25-21(27)17-5-2-10-26(13-17)22(28)16-4-1-3-15(11-16)20-12-24-14-29-20/h1,3-4,6-9,11-12,14,17H,2,5,10,13H2,(H,25,27)
InChIKeyLAKLCGNXYNXBFW-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.49
Rot. Bonds4

About N-(4-chlorophenyl)-1-[3-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide

N-(4-chlorophenyl)-1-[3-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide (PubChem CID 71681721) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[3-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[3-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide
PubChem CID71681721
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC NameN-(4-chlorophenyl)-1-[3-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc(-c3cnco3)c2)C1
InChIInChI=1S/C22H20ClN3O3/c23-18-6-8-19(9-7-18)25-21(27)17-5-2-10-26(13-17)22(28)16-4-1-3-15(11-16)20-12-24-14-29-20/h1,3-4,6-9,11-12,14,17H,2,5,10,13H2,(H,25,27)
InChIKeyLAKLCGNXYNXBFW-UHFFFAOYSA-N
XLogP4.49
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[3-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-[3-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide (CID 71681721) is N-(4-chlorophenyl)-1-[3-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-[3-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-[3-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCCN(C(=O)c2cccc(-c3cnco3)c2)C1.
What is the InChIKey of N-(4-chlorophenyl)-1-[3-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide?
The InChIKey is LAKLCGNXYNXBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c23-18-6-8-19(9-7-18)25-21(27)17-5-2-10-26(13-17)22(28)16-4-1-3-15(11-16)20-12-24-14-29-20/h1,3-4,6-9,11-12,14,17H,2,5,10,13H2,(H,25,27).
What are the key properties of N-(4-chlorophenyl)-1-[3-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide?
N-(4-chlorophenyl)-1-[3-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide has a molecular weight of 409.87 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[3-(1,3-oxazol-5-yl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 71681721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).