cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone

C19H25N5O — CID 125025489

IUPACcyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
SMILESCn1ccnc1-c1cc(C[C@H]2CCCN(C(=O)C3CCC3)C2)ncn1
InChIInChI=1S/C19H25N5O/c1-23-9-7-20-18(23)17-11-16(21-13-22-17)10-14-4-3-8-24(12-14)19(25)15-5-2-6-15/h7,9,11,13-15H,2-6,8,10,12H2,1H3/t14-/m1/s1
InChIKeyZMUMUSRSBQVDEP-CQSZACIVSA-N
MW339.44 g/mol
LogP2.46
Rot. Bonds4

About cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone

cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone (PubChem CID 125025489) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
PubChem CID125025489
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Namecyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
SMILESCn1ccnc1-c1cc(C[C@H]2CCCN(C(=O)C3CCC3)C2)ncn1
InChIInChI=1S/C19H25N5O/c1-23-9-7-20-18(23)17-11-16(21-13-22-17)10-14-4-3-8-24(12-14)19(25)15-5-2-6-15/h7,9,11,13-15H,2-6,8,10,12H2,1H3/t14-/m1/s1
InChIKeyZMUMUSRSBQVDEP-CQSZACIVSA-N
XLogP2.46
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-1-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one
CID 124949985
[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 124991197
cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]methanone
CID 124993993
2-(4-fluorophenyl)-1-[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 125017854
cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124987285
1H-indazol-3-yl-[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 124954810
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 110095121
(3-fluorophenyl)-[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methanone
CID 125007681
4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine
CID 124641296
1-[4-[4-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110110604
cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 95843254
6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 124947519

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone (CID 125025489) is cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone is Cn1ccnc1-c1cc(C[C@H]2CCCN(C(=O)C3CCC3)C2)ncn1.
What is the InChIKey of cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is ZMUMUSRSBQVDEP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N5O/c1-23-9-7-20-18(23)17-11-16(21-13-22-17)10-14-4-3-8-24(12-14)19(25)15-5-2-6-15/h7,9,11,13-15H,2-6,8,10,12H2,1H3/t14-/m1/s1.
What are the key properties of cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone?
cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 125025489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).