1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

C26H28ClN5O2 — CID 20801029

IUPAC1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C26H28ClN5O2/c1-17(2)31-13-11-21(12-14-31)28-26(33)23-15-19-5-3-4-6-22(19)32(23)16-24-29-25(30-34-24)18-7-9-20(27)10-8-18/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,28,33)
InChIKeyKFEMNDSSCUFFIG-UHFFFAOYSA-N
MW478.00 g/mol
LogP5.00
Rot. Bonds6

About 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 20801029) has the molecular formula C26H28ClN5O2 and a molecular weight of 478.00 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID20801029
Molecular FormulaC26H28ClN5O2
Molecular Weight478.00 g/mol
Exact Mass477.19
IUPAC Name1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C26H28ClN5O2/c1-17(2)31-13-11-21(12-14-31)28-26(33)23-15-19-5-3-4-6-22(19)32(23)16-24-29-25(30-34-24)18-7-9-20(27)10-8-18/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,28,33)
InChIKeyKFEMNDSSCUFFIG-UHFFFAOYSA-N
XLogP5.00
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.00
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 20801029) is 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2nc(-c3ccc(Cl)cc3)no2)CC1.
What is the InChIKey of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is KFEMNDSSCUFFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O2/c1-17(2)31-13-11-21(12-14-31)28-26(33)23-15-19-5-3-4-6-22(19)32(23)16-24-29-25(30-34-24)18-7-9-20(27)10-8-18/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,28,33).
What are the key properties of 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 478.00 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 20801029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).