(1-methylpyrrol-2-yl)-[(3R)-3-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-1-yl]methanone

C20H23N5O2 — CID 164633250

IUPAC(1-methylpyrrol-2-yl)-[(3R)-3-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCC[C@H](CCc2noc(-c3cccnc3)n2)C1
InChIInChI=1S/C20H23N5O2/c1-24-11-4-7-17(24)20(26)25-12-3-5-15(14-25)8-9-18-22-19(27-23-18)16-6-2-10-21-13-16/h2,4,6-7,10-11,13,15H,3,5,8-9,12,14H2,1H3/t15-/m1/s1
InChIKeyXOMCYTOWQNOMNI-OAHLLOKOSA-N
MW365.44 g/mol
LogP2.96
Rot. Bonds5

About (1-methylpyrrol-2-yl)-[(3R)-3-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-1-yl]methanone

(1-methylpyrrol-2-yl)-[(3R)-3-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-1-yl]methanone (PubChem CID 164633250) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[(3R)-3-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[(3R)-3-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-1-yl]methanone
PubChem CID164633250
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(1-methylpyrrol-2-yl)-[(3R)-3-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-1-yl]methanone
SMILESCn1cccc1C(=O)N1CCC[C@H](CCc2noc(-c3cccnc3)n2)C1
InChIInChI=1S/C20H23N5O2/c1-24-11-4-7-17(24)20(26)25-12-3-5-15(14-25)8-9-18-22-19(27-23-18)16-6-2-10-21-13-16/h2,4,6-7,10-11,13,15H,3,5,8-9,12,14H2,1H3/t15-/m1/s1
InChIKeyXOMCYTOWQNOMNI-OAHLLOKOSA-N
XLogP2.96
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 172909011
2-cyclopropyl-1-[(3R)-3-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]piperidin-1-yl]ethanone
CID 164636292
[(3R)-3-[2-(4-tert-butylphenyl)ethyl]piperidin-1-yl]-(3-methyl-5-pyridin-3-yl-1,2-oxazol-4-yl)methanone
CID 92768570
ethyl 3-[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]propanoate
CID 97240405
2-[[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813515
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 125002143
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 91907991
[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 99841425
[4-(dimethylamino)phenyl]-[3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]methanone
CID 91911296
[3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56874856
(1-methylindol-6-yl)-[(3S)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97198977

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[(3R)-3-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[(3R)-3-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-1-yl]methanone (CID 164633250) is (1-methylpyrrol-2-yl)-[(3R)-3-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[(3R)-3-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[(3R)-3-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-1-yl]methanone is Cn1cccc1C(=O)N1CCC[C@H](CCc2noc(-c3cccnc3)n2)C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[(3R)-3-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-1-yl]methanone?
The InChIKey is XOMCYTOWQNOMNI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-24-11-4-7-17(24)20(26)25-12-3-5-15(14-25)8-9-18-22-19(27-23-18)16-6-2-10-21-13-16/h2,4,6-7,10-11,13,15H,3,5,8-9,12,14H2,1H3/t15-/m1/s1.
What are the key properties of (1-methylpyrrol-2-yl)-[(3R)-3-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-1-yl]methanone?
(1-methylpyrrol-2-yl)-[(3R)-3-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-1-yl]methanone has a molecular weight of 365.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[(3R)-3-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 164633250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).