[(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C19H24N4O2 — CID 118781643

IUPAC[(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN1Cc1ccccc1)N1CCC(c2ncon2)CC1
InChIInChI=1S/C19H24N4O2/c24-19(22-11-8-16(9-12-22)18-20-14-25-21-18)17-7-4-10-23(17)13-15-5-2-1-3-6-15/h1-3,5-6,14,16-17H,4,7-13H2/t17-/m0/s1
InChIKeyBQYNAHBQHFAREZ-KRWDZBQOSA-N
MW340.43 g/mol
LogP2.44
Rot. Bonds4

About [(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

[(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 118781643) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID118781643
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1CCCN1Cc1ccccc1)N1CCC(c2ncon2)CC1
InChIInChI=1S/C19H24N4O2/c24-19(22-11-8-16(9-12-22)18-20-14-25-21-18)17-7-4-10-23(17)13-15-5-2-1-3-6-15/h1-3,5-6,14,16-17H,4,7-13H2/t17-/m0/s1
InChIKeyBQYNAHBQHFAREZ-KRWDZBQOSA-N
XLogP2.44
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Mbysligcuylpaw-uhfffaoysa-
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N,N-dimethyl-2-{4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-piperidinyl}-1-(4-methylphenyl)-2-oxoethanamine
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N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-fluorobenzyl)-N-methyl-6-oxo-3-piperidinecarboxamide
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1-(4-Methyl-2-phenylpiperazin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
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5-[1-(4-Benzylpiperazin-1-yl)ethyl]-3-cyclopropyl-1,2,4-oxadiazole
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4-{[2-(3-Phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]acetyl}morpholine
CID 70768853
N-(1-benzylpyrrolidin-3-yl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 71928300
2-[Benzyl(methyl)amino]-1-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 71928715
2-[Benzyl(methyl)amino]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 118781643) is [(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is O=C([C@@H]1CCCN1Cc1ccccc1)N1CCC(c2ncon2)CC1.
What is the InChIKey of [(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is BQYNAHBQHFAREZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(22-11-8-16(9-12-22)18-20-14-25-21-18)17-7-4-10-23(17)13-15-5-2-1-3-6-15/h1-3,5-6,14,16-17H,4,7-13H2/t17-/m0/s1.
What are the key properties of [(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
[(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118781643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).