(4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone

C21H22N4O — CID 124970815

IUPAC(4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ncncc1C(=O)N1CCC[C@H](Cc2cnc3ccccc3c2)C1
InChIInChI=1S/C21H22N4O/c1-15-19(12-22-14-24-15)21(26)25-8-4-5-16(13-25)9-17-10-18-6-2-3-7-20(18)23-11-17/h2-3,6-7,10-12,14,16H,4-5,8-9,13H2,1H3/t16-/m1/s1
InChIKeyJSSGCCYPBQEXKN-MRXNPFEDSA-N
MW346.43 g/mol
LogP3.43
Rot. Bonds3

About (4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone

(4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124970815) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID124970815
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ncncc1C(=O)N1CCC[C@H](Cc2cnc3ccccc3c2)C1
InChIInChI=1S/C21H22N4O/c1-15-19(12-22-14-24-15)21(26)25-8-4-5-16(13-25)9-17-10-18-6-2-3-7-20(18)23-11-17/h2-3,6-7,10-12,14,16H,4-5,8-9,13H2,1H3/t16-/m1/s1
InChIKeyJSSGCCYPBQEXKN-MRXNPFEDSA-N
XLogP3.43
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124989323
pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110111665
pyridazin-3-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110090994
pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 125015441
pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111706
1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111486
[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 124991197
[3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 132766947
(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124966699
(1-methylimidazol-4-yl)-[4-(quinolin-3-ylmethyl)azepan-1-yl]methanone
CID 110098870
(4-methylpyrimidin-5-yl)-[3-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]piperidin-1-yl]methanone
CID 154870652

Frequently Asked Questions

What is the IUPAC name of (4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone (CID 124970815) is (4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone is Cc1ncncc1C(=O)N1CCC[C@H](Cc2cnc3ccccc3c2)C1.
What is the InChIKey of (4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is JSSGCCYPBQEXKN-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-19(12-22-14-24-15)21(26)25-8-4-5-16(13-25)9-17-10-18-6-2-3-7-20(18)23-11-17/h2-3,6-7,10-12,14,16H,4-5,8-9,13H2,1H3/t16-/m1/s1.
What are the key properties of (4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
(4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 346.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124970815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).