N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide

C32H33ClN6O3 — CID 58968068

About N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide

N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide (PubChem CID 58968068) has the molecular formula C32H33ClN6O3 and a molecular weight of 585.11 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide
• PubChem CID: 58968068
• Molecular Formula: C32H33ClN6O3
• Molecular Weight: 585.11 g/mol
• Exact Mass: 584.23
• IUPAC Name: N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide
• SMILES: COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(c4nc(-c5cccnc5)no4)CC3)c12
• InChI: InChI=1S/C32H33ClN6O3/c1-41-28-10-3-9-26-27(31(40)35-19-22-6-2-8-25(33)18-22)21-39(29(26)28)15-5-14-38-16-11-23(12-17-38)32-36-30(37-42-32)24-7-4-13-34-20-24/h2-4,6-10,13,18,20-21,23H,5,11-12,14-17,19H2,1H3,(H,35,40)
• InChIKey: XNKVCUQWJMNSER-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 98.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.11
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide?

The IUPAC name of N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide (CID 58968068) is N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide.

What is the SMILES notation for N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide?

The canonical SMILES for N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide is COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(c4nc(-c5cccnc5)no4)CC3)c12.

What is the InChIKey of N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide?

The InChIKey is XNKVCUQWJMNSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN6O3/c1-41-28-10-3-9-26-27(31(40)35-19-22-6-2-8-25(33)18-22)21-39(29(26)28)15-5-14-38-16-11-23(12-17-38)32-36-30(37-42-32)24-7-4-13-34-20-24/h2-4,6-10,13,18,20-21,23H,5,11-12,14-17,19H2,1H3,(H,35,40).

What are the key properties of N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide?

N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide has a molecular weight of 585.11 g/mol, XLogP of 5.95, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chlorophenyl)methyl]-7-methoxy-1-[3-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propyl]indole-3-carboxamide is sourced from PubChem (CID 58968068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).