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

C14H18N4O2 — CID 164631948

IUPAC(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC[C@H]2c2ncon2)ccn1C
InChIInChI=1S/C14H18N4O2/c1-10-11(6-8-17(10)2)14(19)18-7-4-3-5-12(18)13-15-9-20-16-13/h6,8-9,12H,3-5,7H2,1-2H3/t12-/m0/s1
InChIKeyJQHHXYXXHJNRAS-LBPRGKRZSA-N
MW274.32 g/mol
LogP2.08
Rot. Bonds2

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

(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 164631948) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID164631948
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC[C@H]2c2ncon2)ccn1C
InChIInChI=1S/C14H18N4O2/c1-10-11(6-8-17(10)2)14(19)18-7-4-3-5-12(18)13-15-9-20-16-13/h6,8-9,12H,3-5,7H2,1-2H3/t12-/m0/s1
InChIKeyJQHHXYXXHJNRAS-LBPRGKRZSA-N
XLogP2.08
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 164631948) is (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is Cc1c(C(=O)N2CCCC[C@H]2c2ncon2)ccn1C.
What is the InChIKey of (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is JQHHXYXXHJNRAS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-11(6-8-17(10)2)14(19)18-7-4-3-5-12(18)13-15-9-20-16-13/h6,8-9,12H,3-5,7H2,1-2H3/t12-/m0/s1.
What are the key properties of (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
(1,2-dimethylpyrrol-3-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 274.32 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylpyrrol-3-yl)-[(2S)-2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 164631948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).