(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone

C23H30N4O — CID 109288459

IUPAC(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
SMILESCC1CCCN(c2cnc(C(=O)N3CCC(Cc4ccccc4)CC3)cn2)C1
InChIInChI=1S/C23H30N4O/c1-18-6-5-11-27(17-18)22-16-24-21(15-25-22)23(28)26-12-9-20(10-13-26)14-19-7-3-2-4-8-19/h2-4,7-8,15-16,18,20H,5-6,9-14,17H2,1H3
InChIKeyQFJGAPMNYDXGRK-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.81
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone

(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone (PubChem CID 109288459) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
PubChem CID109288459
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
SMILESCC1CCCN(c2cnc(C(=O)N3CCC(Cc4ccccc4)CC3)cn2)C1
InChIInChI=1S/C23H30N4O/c1-18-6-5-11-27(17-18)22-16-24-21(15-25-22)23(28)26-12-9-20(10-13-26)14-19-7-3-2-4-8-19/h2-4,7-8,15-16,18,20H,5-6,9-14,17H2,1H3
InChIKeyQFJGAPMNYDXGRK-UHFFFAOYSA-N
XLogP3.81
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109275074
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109240472
[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264110
(4-benzylpiperidin-1-yl)-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179716
(4-benzylpiperidin-1-yl)-[5-(N-methylanilino)pyrazin-2-yl]methanone
CID 109288466
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
(4-benzylpiperidin-1-yl)-[5-(dipropylamino)pyrazin-2-yl]methanone
CID 109288460
5-(4-benzylpiperidin-1-yl)-N-cyclopentylpyrazine-2-carboxamide
CID 109273957
N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288815
5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283250
[5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109189255

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone (CID 109288459) is (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone is CC1CCCN(c2cnc(C(=O)N3CCC(Cc4ccccc4)CC3)cn2)C1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone?
The InChIKey is QFJGAPMNYDXGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-18-6-5-11-27(17-18)22-16-24-21(15-25-22)23(28)26-12-9-20(10-13-26)14-19-7-3-2-4-8-19/h2-4,7-8,15-16,18,20H,5-6,9-14,17H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone?
(4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone has a molecular weight of 378.52 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone is sourced from PubChem (CID 109288459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).