[1-(furan-2-carbonyl)piperidin-2-yl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone

C27H33N5O4 — CID 55966836

IUPAC[1-(furan-2-carbonyl)piperidin-2-yl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2noc(CCCN3CCN(C(=O)C4CCCCN4C(=O)c4ccco4)CC3)n2)cc1
InChIInChI=1S/C27H33N5O4/c1-20-9-11-21(12-10-20)25-28-24(36-29-25)8-4-13-30-15-17-31(18-16-30)26(33)22-6-2-3-14-32(22)27(34)23-7-5-19-35-23/h5,7,9-12,19,22H,2-4,6,8,13-18H2,1H3
InChIKeySZMUUMZSOAZBPX-UHFFFAOYSA-N
MW491.59 g/mol
LogP3.41
Rot. Bonds7

About [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone

[1-(furan-2-carbonyl)piperidin-2-yl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone (PubChem CID 55966836) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(furan-2-carbonyl)piperidin-2-yl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone
PubChem CID55966836
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC Name[1-(furan-2-carbonyl)piperidin-2-yl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2noc(CCCN3CCN(C(=O)C4CCCCN4C(=O)c4ccco4)CC3)n2)cc1
InChIInChI=1S/C27H33N5O4/c1-20-9-11-21(12-10-20)25-28-24(36-29-25)8-4-13-30-15-17-31(18-16-30)26(33)22-6-2-3-14-32(22)27(34)23-7-5-19-35-23/h5,7,9-12,19,22H,2-4,6,8,13-18H2,1H3
InChIKeySZMUUMZSOAZBPX-UHFFFAOYSA-N
XLogP3.41
TPSA95.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,2-dimethyl-1-[2-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 55853530
[1-(furan-2-carbonyl)piperidin-2-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 55975025
(4-benzylpiperazin-1-yl)-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55973734
1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butan-1-one
CID 55621672
3-methyl-1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butan-1-one
CID 55652242
2-(methylamino)-1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]ethanone
CID 120703681
1-(4-methylphenyl)-4-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butane-1,4-dione
CID 55647099
[4-(diethylaminomethyl)phenyl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone
CID 55652719
[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 46453893
1-[4-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 86876183
3-[2-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 112841504
tert-butyl 4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazine-1-carboxylate
CID 55975170

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone (CID 55966836) is [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone is Cc1ccc(-c2noc(CCCN3CCN(C(=O)C4CCCCN4C(=O)c4ccco4)CC3)n2)cc1.
What is the InChIKey of [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone?
The InChIKey is SZMUUMZSOAZBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-20-9-11-21(12-10-20)25-28-24(36-29-25)8-4-13-30-15-17-31(18-16-30)26(33)22-6-2-3-14-32(22)27(34)23-7-5-19-35-23/h5,7,9-12,19,22H,2-4,6,8,13-18H2,1H3.
What are the key properties of [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone?
[1-(furan-2-carbonyl)piperidin-2-yl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone has a molecular weight of 491.59 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-carbonyl)piperidin-2-yl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55966836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).