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

C21H22N4O — CID 124961648

IUPAC(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCC[C@H](Cc3cnc4ccccc4c3)C2)cn1
InChIInChI=1S/C21H22N4O/c1-15-22-12-19(13-23-15)21(26)25-8-4-5-16(14-25)9-17-10-18-6-2-3-7-20(18)24-11-17/h2-3,6-7,10-13,16H,4-5,8-9,14H2,1H3/t16-/m1/s1
InChIKeyHDAWCWXSNDHQTC-MRXNPFEDSA-N
MW346.43 g/mol
LogP3.43
Rot. Bonds3

About (2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone

(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124961648) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID124961648
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCC[C@H](Cc3cnc4ccccc4c3)C2)cn1
InChIInChI=1S/C21H22N4O/c1-15-22-12-19(13-23-15)21(26)25-8-4-5-16(14-25)9-17-10-18-6-2-3-7-20(18)24-11-17/h2-3,6-7,10-13,16H,4-5,8-9,14H2,1H3/t16-/m1/s1
InChIKeyHDAWCWXSNDHQTC-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 (2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124966699
pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110111665
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124989323
(4-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124970815
pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111706
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
1H-imidazol-5-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111486
(1-methylimidazol-4-yl)-[4-(quinolin-3-ylmethyl)azepan-1-yl]methanone
CID 110098870
[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 118741492
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
CID 24892821
[4-(isoquinolin-6-ylmethyl)azepan-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 110098883

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone (CID 124961648) is (2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone is Cc1ncc(C(=O)N2CCC[C@H](Cc3cnc4ccccc4c3)C2)cn1.
What is the InChIKey of (2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is HDAWCWXSNDHQTC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-22-12-19(13-23-15)21(26)25-8-4-5-16(14-25)9-17-10-18-6-2-3-7-20(18)24-11-17/h2-3,6-7,10-13,16H,4-5,8-9,14H2,1H3/t16-/m1/s1.
What are the key properties of (2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone?
(2-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 (2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124961648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).