1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one

C26H31N5O4 — CID 46390874

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESCC1CCN(c2ccc(-c3noc(CCC(=O)N4CCN(C(=O)c5ccco5)CC4)n3)cc2)CC1
InChIInChI=1S/C26H31N5O4/c1-19-10-12-29(13-11-19)21-6-4-20(5-7-21)25-27-23(35-28-25)8-9-24(32)30-14-16-31(17-15-30)26(33)22-3-2-18-34-22/h2-7,18-19H,8-17H2,1H3
InChIKeyPRVQCZDANLYTFW-UHFFFAOYSA-N
MW477.57 g/mol
LogP3.48
Rot. Bonds6

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one

1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one (PubChem CID 46390874) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one
PubChem CID46390874
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESCC1CCN(c2ccc(-c3noc(CCC(=O)N4CCN(C(=O)c5ccco5)CC4)n3)cc2)CC1
InChIInChI=1S/C26H31N5O4/c1-19-10-12-29(13-11-19)21-6-4-20(5-7-21)25-27-23(35-28-25)8-9-24(32)30-14-16-31(17-15-30)26(33)22-3-2-18-34-22/h2-7,18-19H,8-17H2,1H3
InChIKeyPRVQCZDANLYTFW-UHFFFAOYSA-N
XLogP3.48
TPSA95.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 38910307
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 100762680
3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]-N-[(2S)-2-phenylpropyl]propanamide
CID 92896631
N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 92723591
ethyl 1-[3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxylate
CID 50832292
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100764370
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 16601007
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 50832070
1-[4-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]-2-phenoxyethanone
CID 50827749
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 9255728
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 36755784
1-[4-(furan-3-carbonyl)piperazin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 32535444

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one (CID 46390874) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one is CC1CCN(c2ccc(-c3noc(CCC(=O)N4CCN(C(=O)c5ccco5)CC4)n3)cc2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one?
The InChIKey is PRVQCZDANLYTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-19-10-12-29(13-11-19)21-6-4-20(5-7-21)25-27-23(35-28-25)8-9-24(32)30-14-16-31(17-15-30)26(33)22-3-2-18-34-22/h2-7,18-19H,8-17H2,1H3.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one has a molecular weight of 477.57 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one is sourced from PubChem (CID 46390874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).