N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

C26H29N5O3 — CID 46321736

IUPACN-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(-c2cccc(N3CC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3=O)c2)no1
InChIInChI=1S/C26H29N5O3/c1-18-27-25(29-34-18)20-8-5-9-23(14-20)31-17-21(15-24(31)32)26(33)28-22-10-12-30(13-11-22)16-19-6-3-2-4-7-19/h2-9,14,21-22H,10-13,15-17H2,1H3,(H,28,33)
InChIKeyKMNGMWCCYFNRQL-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.18
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide

N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46321736) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46321736
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1nc(-c2cccc(N3CC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3=O)c2)no1
InChIInChI=1S/C26H29N5O3/c1-18-27-25(29-34-18)20-8-5-9-23(14-20)31-17-21(15-24(31)32)26(33)28-22-10-12-30(13-11-22)16-19-6-3-2-4-7-19/h2-9,14,21-22H,10-13,15-17H2,1H3,(H,28,33)
InChIKeyKMNGMWCCYFNRQL-UHFFFAOYSA-N
XLogP3.18
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-cycloheptyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92723646
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 39315004
(3S)-N-(1-benzylpiperidin-4-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234773
N-(2-chlorophenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321750
(3S)-N-[(2-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92723644
N-(3-chloro-2-methylphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46321718
1-(1,3-benzodioxol-5-yl)-N-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 46589177
(3S)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746707
(3R)-N-(3,4-dimethylphenyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92746662
(3R)-1-(3-ethylphenyl)-N-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 30787471
4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 168662883
1-(3-fluorophenyl)-5-oxo-N-[1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 71794536

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 46321736) is N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1nc(-c2cccc(N3CC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3=O)c2)no1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KMNGMWCCYFNRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-18-27-25(29-34-18)20-8-5-9-23(14-20)31-17-21(15-24(31)32)26(33)28-22-10-12-30(13-11-22)16-19-6-3-2-4-7-19/h2-9,14,21-22H,10-13,15-17H2,1H3,(H,28,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46321736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).