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

C21H27N5O3 — CID 38116128

IUPACN-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCCN1CCCC1=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H27N5O3/c27-19-7-4-11-26(19)14-10-22-21(28)17-8-12-25(13-9-17)15-18-23-20(24-29-18)16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2,(H,22,28)
InChIKeyHTIHIVDRPSOSBB-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.69
Rot. Bonds7

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

N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 38116128) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID38116128
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCCN1CCCC1=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C21H27N5O3/c27-19-7-4-11-26(19)14-10-22-21(28)17-8-12-25(13-9-17)15-18-23-20(24-29-18)16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2,(H,22,28)
InChIKeyHTIHIVDRPSOSBB-UHFFFAOYSA-N
XLogP1.69
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929441
N-[3-(azepan-1-yl)propyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115484
N-(2-methoxyethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 33083256
N-[2-(cyclohexen-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115074
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115891
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43927516
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115999
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 38154709
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929380
N-[(4-methylphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114940
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 38139524
1-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-4-carboxamide
CID 38147532

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 38116128) is N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is O=C(NCCN1CCCC1=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is HTIHIVDRPSOSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c27-19-7-4-11-26(19)14-10-22-21(28)17-8-12-25(13-9-17)15-18-23-20(24-29-18)16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15H2,(H,22,28).
What are the key properties of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38116128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).