N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide

About N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide

N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide (PubChem CID 4142918) has the molecular formula C26H25ClN4O5 and a molecular weight of 508.96 g/mol. Its IUPAC name is N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name	N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide
PubChem CID	4142918
Molecular Formula	C26H25ClN4O5
Molecular Weight	508.96 g/mol
Exact Mass	508.15
IUPAC Name	N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide
SMILES	C=CCN(CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1)C(=O)c1ccc2c(c1)OCO2
InChI	InChI=1S/C26H25ClN4O5/c1-2-11-30(26(33)18-9-10-21-22(14-18)35-16-34-21)15-23(32)31-12-4-3-8-20(31)25-28-24(29-36-25)17-6-5-7-19(27)13-17/h2,5-7,9-10,13-14,20H,1,3-4,8,11-12,15-16H2
InChIKey	CUJRWPONRBFFFX-UHFFFAOYSA-N
XLogP	4.50
TPSA	98.00 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.96
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide?

The IUPAC name of N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide (CID 4142918) is N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide is C=CCN(CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1)C(=O)c1ccc2c(c1)OCO2.

What is the InChIKey of N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide?

The InChIKey is CUJRWPONRBFFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O5/c1-2-11-30(26(33)18-9-10-21-22(14-18)35-16-34-21)15-23(32)31-12-4-3-8-20(31)25-28-24(29-36-25)17-6-5-7-19(27)13-17/h2,5-7,9-10,13-14,20H,1,3-4,8,11-12,15-16H2.

What are the key properties of N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide?

N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 508.96 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 4142918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).