[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone

C17H22N6O2 — CID 95774241

IUPAC[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1nc([C@H]2CCCN(C(=O)c3ccnc(N4CCCC4)n3)C2)no1
InChIInChI=1S/C17H22N6O2/c1-12-19-15(21-25-12)13-5-4-10-23(11-13)16(24)14-6-7-18-17(20-14)22-8-2-3-9-22/h6-7,13H,2-5,8-11H2,1H3/t13-/m0/s1
InChIKeyRCDOTVULLMPVPT-ZDUSSCGKSA-N
MW342.40 g/mol
LogP1.79
Rot. Bonds3

About [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone

[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone (PubChem CID 95774241) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
PubChem CID95774241
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1nc([C@H]2CCCN(C(=O)c3ccnc(N4CCCC4)n3)C2)no1
InChIInChI=1S/C17H22N6O2/c1-12-19-15(21-25-12)13-5-4-10-23(11-13)16(24)14-6-7-18-17(20-14)22-8-2-3-9-22/h6-7,13H,2-5,8-11H2,1H3/t13-/m0/s1
InChIKeyRCDOTVULLMPVPT-ZDUSSCGKSA-N
XLogP1.79
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

N-({1-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}methyl)pyrimidine-4-carboxamide
CID 56714156
(2-Methylpyrimidin-4-yl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 72123685
3-[1-(4-Methylpyrimidin-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 72130925
5-Ethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72130927
[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 72143173
N,N,6-trimethyl-2-[2-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine-4-carboxamide
CID 102604120
4-[2-(3-Cyclopropyl-1,2,4-oxadiazol-5-YL)-4,4-difluoropyrrolidine-1-carbonyl]pyrimidine
CID 110203200
[2-[4-(Dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110272191
[2-[4-(Dimethylamino)-6-methylpyrimidin-2-yl]-2-methylpyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 118740247
(2-Methylpyrazol-3-yl)-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91918908
N-{4-[(Dimethylamino)methyl]-1-(pyrimidin-2-YL)pyrrolidin-3-YL}pyrimidine-4-carboxamide
CID 91911100
[2-(4-Methylpiperidin-1-yl)pyrimidin-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 50831570

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The IUPAC name of [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone (CID 95774241) is [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The canonical SMILES for [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone is Cc1nc([C@H]2CCCN(C(=O)c3ccnc(N4CCCC4)n3)C2)no1.
What is the InChIKey of [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
The InChIKey is RCDOTVULLMPVPT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12-19-15(21-25-12)13-5-4-10-23(11-13)16(24)14-6-7-18-17(20-14)22-8-2-3-9-22/h6-7,13H,2-5,8-11H2,1H3/t13-/m0/s1.
What are the key properties of [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone?
[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone has a molecular weight of 342.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 95774241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).