1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide

C29H35N5O3 — CID 66671151

IUPAC1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCc1noc(C2CCN(C(=O)N3CCC(C(=O)NCCc4ccccc4)(c4ccccc4)CC3)CC2)n1
InChIInChI=1S/C29H35N5O3/c1-22-31-26(37-32-22)24-13-18-33(19-14-24)28(36)34-20-15-29(16-21-34,25-10-6-3-7-11-25)27(35)30-17-12-23-8-4-2-5-9-23/h2-11,24H,12-21H2,1H3,(H,30,35)
InChIKeyZJISFZNJRABTQE-UHFFFAOYSA-N
MW501.63 g/mol
LogP4.07
Rot. Bonds6

About 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 66671151) has the molecular formula C29H35N5O3 and a molecular weight of 501.63 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID66671151
Molecular FormulaC29H35N5O3
Molecular Weight501.63 g/mol
Exact Mass501.27
IUPAC Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCc1noc(C2CCN(C(=O)N3CCC(C(=O)NCCc4ccccc4)(c4ccccc4)CC3)CC2)n1
InChIInChI=1S/C29H35N5O3/c1-22-31-26(37-32-22)24-13-18-33(19-14-24)28(36)34-20-15-29(16-21-34,25-10-6-3-7-11-25)27(35)30-17-12-23-8-4-2-5-9-23/h2-11,24H,12-21H2,1H3,(H,30,35)
InChIKeyZJISFZNJRABTQE-UHFFFAOYSA-N
XLogP4.07
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.63
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide (CID 66671151) is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide is Cc1noc(C2CCN(C(=O)N3CCC(C(=O)NCCc4ccccc4)(c4ccccc4)CC3)CC2)n1.
What is the InChIKey of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is ZJISFZNJRABTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O3/c1-22-31-26(37-32-22)24-13-18-33(19-14-24)28(36)34-20-15-29(16-21-34,25-10-6-3-7-11-25)27(35)30-17-12-23-8-4-2-5-9-23/h2-11,24H,12-21H2,1H3,(H,30,35).
What are the key properties of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide?
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 501.63 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-4-phenyl-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 66671151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).