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

C21H22N4O — CID 110111683

IUPAC(2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
SMILESCc1nccc(C(=O)N2CCC(Cc3cccc4ncccc34)CC2)n1
InChIInChI=1S/C21H22N4O/c1-15-22-11-7-20(24-15)21(26)25-12-8-16(9-13-25)14-17-4-2-6-19-18(17)5-3-10-23-19/h2-7,10-11,16H,8-9,12-14H2,1H3
InChIKeyWVFZPQNOYRCOFL-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.43
Rot. Bonds3

About (2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone

(2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110111683) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID110111683
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
SMILESCc1nccc(C(=O)N2CCC(Cc3cccc4ncccc34)CC2)n1
InChIInChI=1S/C21H22N4O/c1-15-22-11-7-20(24-15)21(26)25-12-8-16(9-13-25)14-17-4-2-6-19-18(17)5-3-10-23-19/h2-7,10-11,16H,8-9,12-14H2,1H3
InChIKeyWVFZPQNOYRCOFL-UHFFFAOYSA-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-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylpyrimidin-5-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124966364
(2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 124961035
pyridin-4-yl-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124970603
pyridazin-3-yl-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090995
(5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 110111851
(2-methoxy-3-pyridinyl)-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090461
pyridazin-4-yl-[(4S)-4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 125000665
(5-methylpyrazin-2-yl)-[(3R)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124956263
(5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 175652174
1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone
CID 47255982
pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 175652239
(2-methylpyrimidin-4-yl)-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124950849

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone (CID 110111683) is (2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone is Cc1nccc(C(=O)N2CCC(Cc3cccc4ncccc34)CC2)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is WVFZPQNOYRCOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-22-11-7-20(24-15)21(26)25-12-8-16(9-13-25)14-17-4-2-6-19-18(17)5-3-10-23-19/h2-7,10-11,16H,8-9,12-14H2,1H3.
What are the key properties of (2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
(2-methylpyrimidin-4-yl)-[4-(quinolin-5-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-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110111683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).