(4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone

C24H32N4O — CID 124992892

IUPAC(4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cncc([C@@H]2CCCN(C(=O)C3(Cc4ccccc4)CCN(C)CC3)C2)n1
InChIInChI=1S/C24H32N4O/c1-19-16-25-17-22(26-19)21-9-6-12-28(18-21)23(29)24(10-13-27(2)14-11-24)15-20-7-4-3-5-8-20/h3-5,7-8,16-17,21H,6,9-15,18H2,1-2H3/t21-/m1/s1
InChIKeyPTXIEZLPSCQDTJ-OAQYLSRUSA-N
MW392.55 g/mol
LogP3.45
Rot. Bonds4

About (4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone

(4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (PubChem CID 124992892) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is (4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
PubChem CID124992892
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name(4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
SMILESCc1cncc([C@@H]2CCCN(C(=O)C3(Cc4ccccc4)CCN(C)CC3)C2)n1
InChIInChI=1S/C24H32N4O/c1-19-16-25-17-22(26-19)21-9-6-12-28(18-21)23(29)24(10-13-27(2)14-11-24)15-20-7-4-3-5-8-20/h3-5,7-8,16-17,21H,6,9-15,18H2,1-2H3/t21-/m1/s1
InChIKeyPTXIEZLPSCQDTJ-OAQYLSRUSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

1-[4-[(3-fluorophenyl)methyl]-4-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124959010
1-[4-[(2-fluorophenyl)methyl]-4-[(3S)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124985154
(4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 124950943
(4-benzyloxan-4-yl)-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110150108
(1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 125002217
3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 124968339
(1-benzylcyclobutyl)-[(3S)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 97328635
2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one
CID 124947056
2-methyl-6-[(3S)-1-phenylpiperidin-3-yl]pyrazine
CID 125020783
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 95845498
[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 95845464
2-(benzotriazol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124958322

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone (CID 124992892) is (4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is Cc1cncc([C@@H]2CCCN(C(=O)C3(Cc4ccccc4)CCN(C)CC3)C2)n1.
What is the InChIKey of (4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
The InChIKey is PTXIEZLPSCQDTJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H32N4O/c1-19-16-25-17-22(26-19)21-9-6-12-28(18-21)23(29)24(10-13-27(2)14-11-24)15-20-7-4-3-5-8-20/h3-5,7-8,16-17,21H,6,9-15,18H2,1-2H3/t21-/m1/s1.
What are the key properties of (4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone?
(4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone has a molecular weight of 392.55 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124992892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).