6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1,3-benzoxazole-2-carboxamide

C25H30N4O3 — CID 58456847

IUPAC6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1,3-benzoxazole-2-carboxamide
SMILESCc1ccc(N2CCC(Oc3ccc4nc(C(=O)NC5CCNCC5)oc4c3)CC2)cc1
InChIInChI=1S/C25H30N4O3/c1-17-2-4-19(5-3-17)29-14-10-20(11-15-29)31-21-6-7-22-23(16-21)32-25(28-22)24(30)27-18-8-12-26-13-9-18/h2-7,16,18,20,26H,8-15H2,1H3,(H,27,30)
InChIKeyOFKSGUJHSUECPM-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.67
Rot. Bonds5

About 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1,3-benzoxazole-2-carboxamide

6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1,3-benzoxazole-2-carboxamide (PubChem CID 58456847) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1,3-benzoxazole-2-carboxamide.

Molecular Properties

Compound Name6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1,3-benzoxazole-2-carboxamide
PubChem CID58456847
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1,3-benzoxazole-2-carboxamide
SMILESCc1ccc(N2CCC(Oc3ccc4nc(C(=O)NC5CCNCC5)oc4c3)CC2)cc1
InChIInChI=1S/C25H30N4O3/c1-17-2-4-19(5-3-17)29-14-10-20(11-15-29)31-21-6-7-22-23(16-21)32-25(28-22)24(30)27-18-8-12-26-13-9-18/h2-7,16,18,20,26H,8-15H2,1H3,(H,27,30)
InChIKeyOFKSGUJHSUECPM-UHFFFAOYSA-N
XLogP3.67
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1,3-benzoxazole-2-carboxamide?
The IUPAC name of 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1,3-benzoxazole-2-carboxamide (CID 58456847) is 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1,3-benzoxazole-2-carboxamide.
What is the SMILES notation for 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1,3-benzoxazole-2-carboxamide?
The canonical SMILES for 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1,3-benzoxazole-2-carboxamide is Cc1ccc(N2CCC(Oc3ccc4nc(C(=O)NC5CCNCC5)oc4c3)CC2)cc1.
What is the InChIKey of 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1,3-benzoxazole-2-carboxamide?
The InChIKey is OFKSGUJHSUECPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17-2-4-19(5-3-17)29-14-10-20(11-15-29)31-21-6-7-22-23(16-21)32-25(28-22)24(30)27-18-8-12-26-13-9-18/h2-7,16,18,20,26H,8-15H2,1H3,(H,27,30).
What are the key properties of 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1,3-benzoxazole-2-carboxamide?
6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1,3-benzoxazole-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-piperidin-4-yl-1,3-benzoxazole-2-carboxamide is sourced from PubChem (CID 58456847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).