(4-benzylpiperidin-1-yl)-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone

C34H32ClF3N4O — CID 58327821

About (4-benzylpiperidin-1-yl)-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone

(4-benzylpiperidin-1-yl)-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone (PubChem CID 58327821) has the molecular formula C34H32ClF3N4O and a molecular weight of 605.10 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone.

Molecular Properties

• Compound Name: (4-benzylpiperidin-1-yl)-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone
• PubChem CID: 58327821
• Molecular Formula: C34H32ClF3N4O
• Molecular Weight: 605.10 g/mol
• Exact Mass: 604.22
• IUPAC Name: (4-benzylpiperidin-1-yl)-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone
• SMILES: O=C(c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1)N1CCC(Cc2ccccc2)CC1
• InChI: InChI=1S/C34H32ClF3N4O/c35-29-9-10-30(34(36,37)38)28(19-29)22-42-16-13-39-32-31(42)20-27(21-40-32)25-7-4-8-26(18-25)33(43)41-14-11-24(12-15-41)17-23-5-2-1-3-6-23/h1-10,18-21,24H,11-17,22H2,(H,39,40)
• InChIKey: SBCGCYWZYXHPLY-UHFFFAOYSA-N
• XLogP: 7.95
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.10
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone?

The IUPAC name of (4-benzylpiperidin-1-yl)-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone (CID 58327821) is (4-benzylpiperidin-1-yl)-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone.

What is the SMILES notation for (4-benzylpiperidin-1-yl)-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone?

The canonical SMILES for (4-benzylpiperidin-1-yl)-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone is O=C(c1cccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1)N1CCC(Cc2ccccc2)CC1.

What is the InChIKey of (4-benzylpiperidin-1-yl)-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone?

The InChIKey is SBCGCYWZYXHPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32ClF3N4O/c35-29-9-10-30(34(36,37)38)28(19-29)22-42-16-13-39-32-31(42)20-27(21-40-32)25-7-4-8-26(18-25)33(43)41-14-11-24(12-15-41)17-23-5-2-1-3-6-23/h1-10,18-21,24H,11-17,22H2,(H,39,40).

What are the key properties of (4-benzylpiperidin-1-yl)-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone?

(4-benzylpiperidin-1-yl)-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone has a molecular weight of 605.10 g/mol, XLogP of 7.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-benzylpiperidin-1-yl)-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]methanone is sourced from PubChem (CID 58327821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).