(4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone

C20H20N4O — CID 110855826

IUPAC(4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone
SMILESO=C(c1cnc2nccnc2c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H20N4O/c25-20(17-13-18-19(23-14-17)22-9-8-21-18)24-10-6-16(7-11-24)12-15-4-2-1-3-5-15/h1-5,8-9,13-14,16H,6-7,10-12H2
InChIKeyRECGHZBDUZSRQS-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.12
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone

(4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone (PubChem CID 110855826) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone
PubChem CID110855826
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name(4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone
SMILESO=C(c1cnc2nccnc2c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H20N4O/c25-20(17-13-18-19(23-14-17)22-9-8-21-18)24-10-6-16(7-11-24)12-15-4-2-1-3-5-15/h1-5,8-9,13-14,16H,6-7,10-12H2
InChIKeyRECGHZBDUZSRQS-UHFFFAOYSA-N
XLogP3.12
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(2-anilinopyrimidin-5-yl)-(4-benzylpiperidin-1-yl)methanone
CID 72902882
(4-benzylpiperidin-1-yl)-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 109152306
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
(4-benzylpiperidin-1-yl)-[4-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50847507
(4-benzylpiperidin-1-yl)-(5-morpholin-4-yl-3-pyridinyl)methanone
CID 109228617
2-(3-benzylpyrrolidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055218
[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226329

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone (CID 110855826) is (4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone is O=C(c1cnc2nccnc2c1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone?
The InChIKey is RECGHZBDUZSRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(17-13-18-19(23-14-17)22-9-8-21-18)24-10-6-16(7-11-24)12-15-4-2-1-3-5-15/h1-5,8-9,13-14,16H,6-7,10-12H2.
What are the key properties of (4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone?
(4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone has a molecular weight of 332.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone is sourced from PubChem (CID 110855826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).