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

C21H27N5O3 — CID 43929441

IUPACN-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESO=C(NCCN1CCCC1=O)C1CCCN(Cc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C21H27N5O3/c27-19-9-5-12-26(19)13-10-22-21(28)17-8-4-11-25(14-17)15-18-23-20(24-29-18)16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2,(H,22,28)
InChIKeyQOSNMNQRMBXZAE-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-3-carboxamide

N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 43929441) 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-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID43929441
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-3-carboxamide
SMILESO=C(NCCN1CCCC1=O)C1CCCN(Cc2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C21H27N5O3/c27-19-9-5-12-26(19)13-10-22-21(28)17-8-4-11-25(14-17)15-18-23-20(24-29-18)16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2,(H,22,28)
InChIKeyQOSNMNQRMBXZAE-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-4-carboxamide
CID 38116128
N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929380
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43933565
(3S)-N-(cyclopropylmethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94028331
(3R)-N-(cyclopropylmethyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 94028332
N-phenyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929041
N-[2-(4-methylphenyl)sulfanylethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929086
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 43930308
N-[3-(4-chlorophenyl)sulfanylpropyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929356
N-(2-benzylsulfanylethyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930359
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43929100
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 43930780

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-3-carboxamide?
The IUPAC name of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 43929441) is N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-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-3-carboxamide?
The canonical SMILES for N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is O=C(NCCN1CCCC1=O)C1CCCN(Cc2nc(-c3ccccc3)no2)C1.
What is the InChIKey of N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is QOSNMNQRMBXZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c27-19-9-5-12-26(19)13-10-22-21(28)17-8-4-11-25(14-17)15-18-23-20(24-29-18)16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15H2,(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-3-carboxamide?
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-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-3-carboxamide is sourced from PubChem (CID 43929441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).