5-benzyl-N-(1-benzylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

C28H34N4O — CID 53160668

IUPAC5-benzyl-N-(1-benzylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C28H34N4O/c1-30-26-14-17-32(20-23-10-6-3-7-11-23)21-24(26)18-27(30)28(33)29-25-12-15-31(16-13-25)19-22-8-4-2-5-9-22/h2-11,18,25H,12-17,19-21H2,1H3,(H,29,33)
InChIKeyADSCPEDQQAKJDJ-UHFFFAOYSA-N
MW442.61 g/mol
LogP3.98
Rot. Bonds6

About 5-benzyl-N-(1-benzylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

5-benzyl-N-(1-benzylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53160668) has the molecular formula C28H34N4O and a molecular weight of 442.61 g/mol. Its IUPAC name is 5-benzyl-N-(1-benzylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(1-benzylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53160668
Molecular FormulaC28H34N4O
Molecular Weight442.61 g/mol
Exact Mass442.27
IUPAC Name5-benzyl-N-(1-benzylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C28H34N4O/c1-30-26-14-17-32(20-23-10-6-3-7-11-23)21-24(26)18-27(30)28(33)29-25-12-15-31(16-13-25)19-22-8-4-2-5-9-22/h2-11,18,25H,12-17,19-21H2,1H3,(H,29,33)
InChIKeyADSCPEDQQAKJDJ-UHFFFAOYSA-N
XLogP3.98
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(1-benzylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-benzyl-N-(1-benzylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 53160668) is 5-benzyl-N-(1-benzylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-(1-benzylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-benzyl-N-(1-benzylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is Cn1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 5-benzyl-N-(1-benzylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is ADSCPEDQQAKJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O/c1-30-26-14-17-32(20-23-10-6-3-7-11-23)21-24(26)18-27(30)28(33)29-25-12-15-31(16-13-25)19-22-8-4-2-5-9-22/h2-11,18,25H,12-17,19-21H2,1H3,(H,29,33).
What are the key properties of 5-benzyl-N-(1-benzylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
5-benzyl-N-(1-benzylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 442.61 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(1-benzylpiperidin-4-yl)-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53160668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).