[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

C19H20N4O2 — CID 110421376

IUPAC[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCc1nnc(C2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)o1
InChIInChI=1S/C19H20N4O2/c1-14-20-21-18(25-14)15-8-12-23(13-9-15)19(24)16-4-6-17(7-5-16)22-10-2-3-11-22/h2-7,10-11,15H,8-9,12-13H2,1H3
InChIKeyUNBNUSUEZAHYAI-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.19
Rot. Bonds3

About [4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone

[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 110421376) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is [4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
PubChem CID110421376
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
SMILESCc1nnc(C2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)o1
InChIInChI=1S/C19H20N4O2/c1-14-20-21-18(25-14)15-8-12-23(13-9-15)19(24)16-4-6-17(7-5-16)22-10-2-3-11-22/h2-7,10-11,15H,8-9,12-13H2,1H3
InChIKeyUNBNUSUEZAHYAI-UHFFFAOYSA-N
XLogP3.19
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone with MolForge

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Related Compounds

(4-chlorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 59347461
(3-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110423668
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 154747574
1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45341241
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 66262361
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
(4-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99963299
[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108569421
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110347050
benzyl 4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 19029125

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone (CID 110421376) is [4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is Cc1nnc(C2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)o1.
What is the InChIKey of [4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is UNBNUSUEZAHYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-20-21-18(25-14)15-8-12-23(13-9-15)19(24)16-4-6-17(7-5-16)22-10-2-3-11-22/h2-7,10-11,15H,8-9,12-13H2,1H3.
What are the key properties of [4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone?
[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 336.39 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 110421376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).