1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one

C17H25N5O2 — CID 95327283

IUPAC1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCCCc1noc(CCCC(=O)N2CCC[C@H](n3ccnc3)C2)n1
InChIInChI=1S/C17H25N5O2/c1-2-5-15-19-16(24-20-15)7-3-8-17(23)21-10-4-6-14(12-21)22-11-9-18-13-22/h9,11,13-14H,2-8,10,12H2,1H3/t14-/m0/s1
InChIKeyPZPAOFUPYBAJSZ-AWEZNQCLSA-N
MW331.42 g/mol
LogP2.40
Rot. Bonds7

About 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one

1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one (PubChem CID 95327283) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
PubChem CID95327283
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCCCc1noc(CCCC(=O)N2CCC[C@H](n3ccnc3)C2)n1
InChIInChI=1S/C17H25N5O2/c1-2-5-15-19-16(24-20-15)7-3-8-17(23)21-10-4-6-14(12-21)22-11-9-18-13-22/h9,11,13-14H,2-8,10,12H2,1H3/t14-/m0/s1
InChIKeyPZPAOFUPYBAJSZ-AWEZNQCLSA-N
XLogP2.40
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95314199
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 95312178
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95282727
4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
CID 86823272
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95569090
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95569091
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95569054
1-[2-[(dimethylamino)methyl]morpholin-4-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 126783193
3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95768717
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 62355730
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]propan-1-one
CID 100843466
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The IUPAC name of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one (CID 95327283) is 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one.
What is the SMILES notation for 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The canonical SMILES for 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one is CCCc1noc(CCCC(=O)N2CCC[C@H](n3ccnc3)C2)n1.
What is the InChIKey of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The InChIKey is PZPAOFUPYBAJSZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-2-5-15-19-16(24-20-15)7-3-8-17(23)21-10-4-6-14(12-21)22-11-9-18-13-22/h9,11,13-14H,2-8,10,12H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one?
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one has a molecular weight of 331.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one is sourced from PubChem (CID 95327283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).