4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide

C26H32N4O4 — CID 162673377

IUPAC4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C26H32N4O4/c31-25(27-22-6-7-23-24(16-22)34-18-33-23)20-8-14-30(15-9-20)26(32)28-21-10-12-29(13-11-21)17-19-4-2-1-3-5-19/h1-7,16,20-21H,8-15,17-18H2,(H,27,31)(H,28,32)
InChIKeyWSJGNJCAVCBWAK-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.44
Rot. Bonds5

About 4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide

4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide (PubChem CID 162673377) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is 4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide
PubChem CID162673377
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C26H32N4O4/c31-25(27-22-6-7-23-24(16-22)34-18-33-23)20-8-14-30(15-9-20)26(32)28-21-10-12-29(13-11-21)17-19-4-2-1-3-5-19/h1-7,16,20-21H,8-15,17-18H2,(H,27,31)(H,28,32)
InChIKeyWSJGNJCAVCBWAK-UHFFFAOYSA-N
XLogP3.44
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide (CID 162673377) is 4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide?
The InChIKey is WSJGNJCAVCBWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c31-25(27-22-6-7-23-24(16-22)34-18-33-23)20-8-14-30(15-9-20)26(32)28-21-10-12-29(13-11-21)17-19-4-2-1-3-5-19/h1-7,16,20-21H,8-15,17-18H2,(H,27,31)(H,28,32).
What are the key properties of 4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide?
4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide has a molecular weight of 464.57 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-benzodioxol-5-yl)-1-N-(1-benzylpiperidin-4-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 162673377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).