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

C21H22N4O — CID 175652174

IUPAC(5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCCC(Cc3cccc4ncccc34)C2)cn1
InChIInChI=1S/C21H22N4O/c1-15-12-24-20(13-23-15)21(26)25-10-4-5-16(14-25)11-17-6-2-8-19-18(17)7-3-9-22-19/h2-3,6-9,12-13,16H,4-5,10-11,14H2,1H3
InChIKeyBUSWFXYQBRTLFA-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.43
Rot. Bonds3

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

(5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 175652174) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID175652174
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCCC(Cc3cccc4ncccc34)C2)cn1
InChIInChI=1S/C21H22N4O/c1-15-12-24-20(13-23-15)21(26)25-10-4-5-16(14-25)11-17-6-2-8-19-18(17)7-3-9-22-19/h2-3,6-9,12-13,16H,4-5,10-11,14H2,1H3
InChIKeyBUSWFXYQBRTLFA-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

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Related Compounds

(5-methylpyrazin-2-yl)-[(3R)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124956263
[(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
(2-methoxy-3-pyridinyl)-[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 124982563
[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 125024184
(2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 124961035
(5-methylpyrazin-2-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845298
(3-pyrimidin-2-yloxyphenyl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 110149381
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 26407024
(1-methylimidazol-4-yl)-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110098868
(5-methyl-1,3-oxazol-4-yl)-[4-(quinolin-5-ylmethyl)azepan-1-yl]methanone
CID 110111851
(1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 125020810

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone (CID 175652174) is (5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone is Cc1cnc(C(=O)N2CCCC(Cc3cccc4ncccc34)C2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is BUSWFXYQBRTLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-12-24-20(13-23-15)21(26)25-10-4-5-16(14-25)11-17-6-2-8-19-18(17)7-3-9-22-19/h2-3,6-9,12-13,16H,4-5,10-11,14H2,1H3.
What are the key properties of (5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone?
(5-methylpyrazin-2-yl)-[3-(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 (5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 175652174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).