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

C21H22N4O — CID 124961035

IUPAC(2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1nccc(C(=O)N2CCC[C@H](Cc3ccnc4ccccc34)C2)n1
InChIInChI=1S/C21H22N4O/c1-15-22-11-9-20(24-15)21(26)25-12-4-5-16(14-25)13-17-8-10-23-19-7-3-2-6-18(17)19/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1
InChIKeyGYRKEFNWBNMKQE-MRXNPFEDSA-N
MW346.43 g/mol
LogP3.43
Rot. Bonds3

About (2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone

(2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124961035) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID124961035
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1nccc(C(=O)N2CCC[C@H](Cc3ccnc4ccccc34)C2)n1
InChIInChI=1S/C21H22N4O/c1-15-22-11-9-20(24-15)21(26)25-12-4-5-16(14-25)13-17-8-10-23-19-7-3-2-6-18(17)19/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1
InChIKeyGYRKEFNWBNMKQE-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-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(1-methylimidazol-4-yl)-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110098868
(1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 125020810
(2-methylpyrimidin-4-yl)-[4-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110111683
(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
1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110098808
[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124967130
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124951283
pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124950383
[(3S)-3-(dimethylamino)piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 95143975
(2-methoxy-3-pyridinyl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124982563
(3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone
CID 130925967

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone (CID 124961035) is (2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone is Cc1nccc(C(=O)N2CCC[C@H](Cc3ccnc4ccccc34)C2)n1.
What is the InChIKey of (2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is GYRKEFNWBNMKQE-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-22-11-9-20(24-15)21(26)25-12-4-5-16(14-25)13-17-8-10-23-19-7-3-2-6-18(17)19/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1.
What are the key properties of (2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone?
(2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-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)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124961035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).