(3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone

C22H23N3O2 — CID 71009872

IUPAC(3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESCc1nc(-c2cccc(C(=O)N3CCCC(Cc4ccccc4)C3)c2)no1
InChIInChI=1S/C22H23N3O2/c1-16-23-21(24-27-16)19-10-5-11-20(14-19)22(26)25-12-6-9-18(15-25)13-17-7-3-2-4-8-17/h2-5,7-8,10-11,14,18H,6,9,12-13,15H2,1H3
InChIKeyJQKMUAPWDZFNBT-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.14
Rot. Bonds4

About (3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone

(3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone (PubChem CID 71009872) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
PubChem CID71009872
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESCc1nc(-c2cccc(C(=O)N3CCCC(Cc4ccccc4)C3)c2)no1
InChIInChI=1S/C22H23N3O2/c1-16-23-21(24-27-16)19-10-5-11-20(14-19)22(26)25-12-6-9-18(15-25)13-17-7-3-2-4-8-17/h2-5,7-8,10-11,14,18H,6,9,12-13,15H2,1H3
InChIKeyJQKMUAPWDZFNBT-UHFFFAOYSA-N
XLogP4.14
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-benzylpiperidin-1-yl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 53327767
2-[3-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]phenyl]acetic acid
CID 146141595
[(3R)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 124740786
(3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid
CID 124576703
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid;[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanol
CID 159455674
(2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 124737577
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 90641474
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90641830
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 90641934
(3-ethyl-1,2-oxazol-5-yl)-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 110103345
(3-chlorophenyl)-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3912451
[3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95555128

Frequently Asked Questions

What is the IUPAC name of (3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The IUPAC name of (3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone (CID 71009872) is (3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone.
What is the SMILES notation for (3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The canonical SMILES for (3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone is Cc1nc(-c2cccc(C(=O)N3CCCC(Cc4ccccc4)C3)c2)no1.
What is the InChIKey of (3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The InChIKey is JQKMUAPWDZFNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-23-21(24-27-16)19-10-5-11-20(14-19)22(26)25-12-6-9-18(15-25)13-17-7-3-2-4-8-17/h2-5,7-8,10-11,14,18H,6,9,12-13,15H2,1H3.
What are the key properties of (3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
(3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone has a molecular weight of 361.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylpiperidin-1-yl)-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone is sourced from PubChem (CID 71009872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).