3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole

C20H30N6O — CID 56900896

IUPAC3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc(C2CCCN(Cc3noc(C(C)C)n3)C2)cc(N2CCCC2)n1
InChIInChI=1S/C20H30N6O/c1-14(2)20-23-18(24-27-20)13-25-8-6-7-16(12-25)17-11-19(22-15(3)21-17)26-9-4-5-10-26/h11,14,16H,4-10,12-13H2,1-3H3
InChIKeyLQKPAAYJVWZAED-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.27
Rot. Bonds5

About 3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole

3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 56900896) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID56900896
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nc(C2CCCN(Cc3noc(C(C)C)n3)C2)cc(N2CCCC2)n1
InChIInChI=1S/C20H30N6O/c1-14(2)20-23-18(24-27-20)13-25-8-6-7-16(12-25)17-11-19(22-15(3)21-17)26-9-4-5-10-26/h11,14,16H,4-10,12-13H2,1-3H3
InChIKeyLQKPAAYJVWZAED-UHFFFAOYSA-N
XLogP3.27
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-5-[[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95896261
N-methyl-2-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 56881607
N-(2-methylpropyl)-2-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95871480
N,N-dimethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95867700
N-methyl-1-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 54959399
N-[[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241895
N-ethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 95876230
2-[1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 62688896
2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 95867348
3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid
CID 70780123
4,6-dimethyl-2-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95888742
1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 56906285

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole (CID 56900896) is 3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole is Cc1nc(C2CCCN(Cc3noc(C(C)C)n3)C2)cc(N2CCCC2)n1.
What is the InChIKey of 3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is LQKPAAYJVWZAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-14(2)20-23-18(24-27-20)13-25-8-6-7-16(12-25)17-11-19(22-15(3)21-17)26-9-4-5-10-26/h11,14,16H,4-10,12-13H2,1-3H3.
What are the key properties of 3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 370.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 56900896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).