N-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide

C31H30N4O3 — CID 59527752

IUPACN-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide
SMILESCc1noc(-c2ccc(C(=O)N3CCC(C(=O)NC4Cc5ccccc5C4)(c4ccccc4)CC3)cc2)n1
InChIInChI=1S/C31H30N4O3/c1-21-32-28(38-34-21)22-11-13-23(14-12-22)29(36)35-17-15-31(16-18-35,26-9-3-2-4-10-26)30(37)33-27-19-24-7-5-6-8-25(24)20-27/h2-14,27H,15-20H2,1H3,(H,33,37)
InChIKeyWKKRADPWXKNEHR-UHFFFAOYSA-N
MW506.61 g/mol
LogP4.50
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 59527752) has the molecular formula C31H30N4O3 and a molecular weight of 506.61 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide
PubChem CID59527752
Molecular FormulaC31H30N4O3
Molecular Weight506.61 g/mol
Exact Mass506.23
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide
SMILESCc1noc(-c2ccc(C(=O)N3CCC(C(=O)NC4Cc5ccccc5C4)(c4ccccc4)CC3)cc2)n1
InChIInChI=1S/C31H30N4O3/c1-21-32-28(38-34-21)22-11-13-23(14-12-22)29(36)35-17-15-31(16-18-35,26-9-3-2-4-10-26)30(37)33-27-19-24-7-5-6-8-25(24)20-27/h2-14,27H,15-20H2,1H3,(H,33,37)
InChIKeyWKKRADPWXKNEHR-UHFFFAOYSA-N
XLogP4.50
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide (CID 59527752) is N-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide is Cc1noc(-c2ccc(C(=O)N3CCC(C(=O)NC4Cc5ccccc5C4)(c4ccccc4)CC3)cc2)n1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is WKKRADPWXKNEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O3/c1-21-32-28(38-34-21)22-11-13-23(14-12-22)29(36)35-17-15-31(16-18-35,26-9-3-2-4-10-26)30(37)33-27-19-24-7-5-6-8-25(24)20-27/h2-14,27H,15-20H2,1H3,(H,33,37).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 506.61 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 59527752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).