1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide

C20H26ClN5O2 — CID 53008811

IUPAC1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCCC1)C1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C20H26ClN5O2/c21-17-5-3-15(4-6-17)18-23-20(28-24-18)26-12-7-16(8-13-26)19(27)22-9-14-25-10-1-2-11-25/h3-6,16H,1-2,7-14H2,(H,22,27)
InChIKeySUNMINXRHSKLJE-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.82
Rot. Bonds6

About 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide

1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide (PubChem CID 53008811) has the molecular formula C20H26ClN5O2 and a molecular weight of 403.91 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
PubChem CID53008811
Molecular FormulaC20H26ClN5O2
Molecular Weight403.91 g/mol
Exact Mass403.18
IUPAC Name1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCCC1)C1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C20H26ClN5O2/c21-17-5-3-15(4-6-17)18-23-20(28-24-18)26-12-7-16(8-13-26)19(27)22-9-14-25-10-1-2-11-25/h3-6,16H,1-2,7-14H2,(H,22,27)
InChIKeySUNMINXRHSKLJE-UHFFFAOYSA-N
XLogP2.82
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46358412
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 53030333
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 169189204
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 22581244
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 22581243
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 38157709
1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 53032140
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 4897572
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 22581235
N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519609
N-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859822
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide
CID 22322231

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide (CID 53008811) is 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide is O=C(NCCN1CCCC1)C1CCN(c2nc(-c3ccc(Cl)cc3)no2)CC1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is SUNMINXRHSKLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O2/c21-17-5-3-15(4-6-17)18-23-20(28-24-18)26-12-7-16(8-13-26)19(27)22-9-14-25-10-1-2-11-25/h3-6,16H,1-2,7-14H2,(H,22,27).
What are the key properties of 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide?
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 53008811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).