1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butan-1-one

C20H25N5O2 — CID 94382267

IUPAC1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCCc1noc(CCCC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n1
InChIInChI=1S/C20H25N5O2/c1-2-17-23-18(27-24-17)10-5-11-19(26)25-12-6-7-14(13-25)20-21-15-8-3-4-9-16(15)22-20/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyLTTZIRVSCHFHQE-CQSZACIVSA-N
MW367.45 g/mol
LogP3.24
Rot. Bonds6

About 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butan-1-one

1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butan-1-one (PubChem CID 94382267) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butan-1-one
PubChem CID94382267
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCCc1noc(CCCC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n1
InChIInChI=1S/C20H25N5O2/c1-2-17-23-18(27-24-17)10-5-11-19(26)25-12-6-7-14(13-25)20-21-15-8-3-4-9-16(15)22-20/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyLTTZIRVSCHFHQE-CQSZACIVSA-N
XLogP3.24
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-chlorophenyl)butan-1-one
CID 55790773
1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 51590636
1-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]pyrrolidine-2,5-dione
CID 46971035
1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 95869645
N-[4-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide
CID 51728801
N-[4-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-oxobutyl]-2,2-dimethylpropanamide
CID 51728802
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione
CID 55497086
1-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 55824573
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 95868526

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The IUPAC name of 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butan-1-one (CID 94382267) is 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butan-1-one.
What is the SMILES notation for 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The canonical SMILES for 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butan-1-one is CCc1noc(CCCC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n1.
What is the InChIKey of 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butan-1-one?
The InChIKey is LTTZIRVSCHFHQE-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-2-17-23-18(27-24-17)10-5-11-19(26)25-12-6-7-14(13-25)20-21-15-8-3-4-9-16(15)22-20/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butan-1-one?
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butan-1-one has a molecular weight of 367.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butan-1-one is sourced from PubChem (CID 94382267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).