[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone

C24H30N6O — CID 92628235

IUPAC[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C24H30N6O/c1-17-15-20(27-24(25-17)29-12-6-3-7-13-29)23(31)30-14-8-9-18(16-30)22-26-19-10-4-5-11-21(19)28(22)2/h4-5,10-11,15,18H,3,6-9,12-14,16H2,1-2H3/t18-/m1/s1
InChIKeySMACQFSLFURHGN-GOSISDBHSA-N
MW418.55 g/mol
LogP3.68
Rot. Bonds3

About [(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone

[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone (PubChem CID 92628235) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is [(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
PubChem CID92628235
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C24H30N6O/c1-17-15-20(27-24(25-17)29-12-6-3-7-13-29)23(31)30-14-8-9-18(16-30)22-26-19-10-4-5-11-21(19)28(22)2/h4-5,10-11,15,18H,3,6-9,12-14,16H2,1-2H3/t18-/m1/s1
InChIKeySMACQFSLFURHGN-GOSISDBHSA-N
XLogP3.68
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46974543
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183
(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109321612
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 110150050
[2-(diethylamino)-6-methylpyrimidin-4-yl]-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947291
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961
(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124981897
(4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947084
(4,6-dimethyl-1H-indol-2-yl)-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 92626049

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The IUPAC name of [(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone (CID 92628235) is [(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The canonical SMILES for [(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone is Cc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4n3C)C2)nc(N2CCCCC2)n1.
What is the InChIKey of [(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
The InChIKey is SMACQFSLFURHGN-GOSISDBHSA-N. The full InChI is InChI=1S/C24H30N6O/c1-17-15-20(27-24(25-17)29-12-6-3-7-13-29)23(31)30-14-8-9-18(16-30)22-26-19-10-4-5-11-21(19)28(22)2/h4-5,10-11,15,18H,3,6-9,12-14,16H2,1-2H3/t18-/m1/s1.
What are the key properties of [(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone?
[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone has a molecular weight of 418.55 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 92628235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).