(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone

C21H22N4O — CID 124966699

IUPAC(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCC[C@@H](Cc3ccc4ncccc4c3)C2)cn1
InChIInChI=1S/C21H22N4O/c1-15-23-12-19(13-24-15)21(26)25-9-3-4-17(14-25)10-16-6-7-20-18(11-16)5-2-8-22-20/h2,5-8,11-13,17H,3-4,9-10,14H2,1H3/t17-/m0/s1
InChIKeyINONHHDPASBYMM-KRWDZBQOSA-N
MW346.43 g/mol
LogP3.43
Rot. Bonds3

About (2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone

(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124966699) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
PubChem CID124966699
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCC[C@@H](Cc3ccc4ncccc4c3)C2)cn1
InChIInChI=1S/C21H22N4O/c1-15-23-12-19(13-24-15)21(26)25-9-3-4-17(14-25)10-16-6-7-20-18(11-16)5-2-8-22-20/h2,5-8,11-13,17H,3-4,9-10,14H2,1H3/t17-/m0/s1
InChIKeyINONHHDPASBYMM-KRWDZBQOSA-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)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 125015441
(2-methylpyrimidin-5-yl)-[(3R)-3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 124961648
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124967795
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714
(1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 95828739
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 132767463
pyrimidin-2-yl-[3-(quinolin-3-ylmethyl)piperidin-1-yl]methanone
CID 110111665
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124
[4-(isoquinolin-6-ylmethyl)azepan-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 110098883
[4-(4-methylphenyl)oxan-4-yl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 155984432
pyridazin-4-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124963997
(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 124963940

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone (CID 124966699) is (2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone is Cc1ncc(C(=O)N2CCC[C@@H](Cc3ccc4ncccc4c3)C2)cn1.
What is the InChIKey of (2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is INONHHDPASBYMM-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-23-12-19(13-24-15)21(26)25-9-3-4-17(14-25)10-16-6-7-20-18(11-16)5-2-8-22-20/h2,5-8,11-13,17H,3-4,9-10,14H2,1H3/t17-/m0/s1.
What are the key properties of (2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone?
(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-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)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124966699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).