1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one

C25H30N6O2 — CID 42289097

IUPAC1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESO=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)N1CCCC[C@@H]1CCn1ccnc1
InChIInChI=1S/C25H30N6O2/c32-25(31-14-4-3-5-20(31)12-15-30-16-13-26-18-30)11-10-24-29-28-23(33-24)9-8-19-17-27-22-7-2-1-6-21(19)22/h1-2,6-7,13,16-18,20,27H,3-5,8-12,14-15H2/t20-/m1/s1
InChIKeyHIAWHPPXEZILTL-HXUWFJFHSA-N
MW446.56 g/mol
LogP3.94
Rot. Bonds9

About 1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one

1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one (PubChem CID 42289097) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one
PubChem CID42289097
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESO=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)N1CCCC[C@@H]1CCn1ccnc1
InChIInChI=1S/C25H30N6O2/c32-25(31-14-4-3-5-20(31)12-15-30-16-13-26-18-30)11-10-24-29-28-23(33-24)9-8-19-17-27-22-7-2-1-6-21(19)22/h1-2,6-7,13,16-18,20,27H,3-5,8-12,14-15H2/t20-/m1/s1
InChIKeyHIAWHPPXEZILTL-HXUWFJFHSA-N
XLogP3.94
TPSA92.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-phenylpropan-1-one;1-[4-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 67753486
1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
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1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one
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N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073224
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one
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1-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
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(2R)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-2-carboxylic acid
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3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one
CID 45215135
1-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 70730119
1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
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N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
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1-[(3aS,9aR)-1-acetyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 110136219

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one?
The IUPAC name of 1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one (CID 42289097) is 1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one is O=C(CCc1nnc(CCc2c[nH]c3ccccc23)o1)N1CCCC[C@@H]1CCn1ccnc1.
What is the InChIKey of 1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one?
The InChIKey is HIAWHPPXEZILTL-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N6O2/c32-25(31-14-4-3-5-20(31)12-15-30-16-13-26-18-30)11-10-24-29-28-23(33-24)9-8-19-17-27-22-7-2-1-6-21(19)22/h1-2,6-7,13,16-18,20,27H,3-5,8-12,14-15H2/t20-/m1/s1.
What are the key properties of 1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one?
1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one has a molecular weight of 446.56 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one is sourced from PubChem (CID 42289097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).