1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide

C26H30FN5O3 — CID 38152467

IUPAC1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C26H30FN5O3/c27-22-5-3-20(4-6-22)25-29-24(35-30-25)18-31-11-9-21(10-12-31)26(33)28-17-19-1-7-23(8-2-19)32-13-15-34-16-14-32/h1-8,21H,9-18H2,(H,28,33)
InChIKeyZRHBEZXRCIOAMN-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.24
Rot. Bonds7

About 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide

1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 38152467) has the molecular formula C26H30FN5O3 and a molecular weight of 479.56 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID38152467
Molecular FormulaC26H30FN5O3
Molecular Weight479.56 g/mol
Exact Mass479.23
IUPAC Name1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C26H30FN5O3/c27-22-5-3-20(4-6-22)25-29-24(35-30-25)18-31-11-9-21(10-12-31)26(33)28-17-19-1-7-23(8-2-19)32-13-15-34-16-14-32/h1-8,21H,9-18H2,(H,28,33)
InChIKeyZRHBEZXRCIOAMN-UHFFFAOYSA-N
XLogP3.24
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 38152244
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115433
N-[(4-methylphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114940
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38143303
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38151262
1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 38143900
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentylpiperidine-4-carboxamide
CID 38152040
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115999
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 43930563
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 33083933
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 38151397
N-benzyl-1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38143586

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide (CID 38152467) is 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide is O=C(NCc1ccc(N2CCOCC2)cc1)C1CCN(Cc2nc(-c3ccc(F)cc3)no2)CC1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ZRHBEZXRCIOAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3/c27-22-5-3-20(4-6-22)25-29-24(35-30-25)18-31-11-9-21(10-12-31)26(33)28-17-19-1-7-23(8-2-19)32-13-15-34-16-14-32/h1-8,21H,9-18H2,(H,28,33).
What are the key properties of 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide?
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38152467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).