(1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

C14H17N5O — CID 124980175

IUPAC(1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESCn1ccnc1C(=O)N1CCC[C@@H](c2ccncn2)C1
InChIInChI=1S/C14H17N5O/c1-18-8-6-16-13(18)14(20)19-7-2-3-11(9-19)12-4-5-15-10-17-12/h4-6,8,10-11H,2-3,7,9H2,1H3/t11-/m1/s1
InChIKeyMGTYZHFOHXLLIZ-LLVKDONJSA-N
MW271.32 g/mol
LogP1.23
Rot. Bonds2

About (1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

(1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (PubChem CID 124980175) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
PubChem CID124980175
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESCn1ccnc1C(=O)N1CCC[C@@H](c2ccncn2)C1
InChIInChI=1S/C14H17N5O/c1-18-8-6-16-13(18)14(20)19-7-2-3-11(9-19)12-4-5-15-10-17-12/h4-6,8,10-11H,2-3,7,9H2,1H3/t11-/m1/s1
InChIKeyMGTYZHFOHXLLIZ-LLVKDONJSA-N
XLogP1.23
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110096423
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
2-methyl-1-(3-pyrimidin-4-ylpiperidin-1-yl)-2-pyrrol-1-ylpropan-1-one
CID 131901880
[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124996356
[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 110114980
(2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124942438
(2-methoxy-3-pyridinyl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 110114882
6-methyl-3-(3-pyrimidin-4-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 77083127
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 97275870
3-(2-methylpyrazol-3-yl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
CID 124989317
(1-methylimidazol-2-yl)-[(3S)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95810580

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The IUPAC name of (1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (CID 124980175) is (1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone is Cn1ccnc1C(=O)N1CCC[C@@H](c2ccncn2)C1.
What is the InChIKey of (1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The InChIKey is MGTYZHFOHXLLIZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N5O/c1-18-8-6-16-13(18)14(20)19-7-2-3-11(9-19)12-4-5-15-10-17-12/h4-6,8,10-11H,2-3,7,9H2,1H3/t11-/m1/s1.
What are the key properties of (1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
(1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone has a molecular weight of 271.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 124980175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).