1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C22H26N2O4 — CID 2903356

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C22H26N2O4/c1-26-19-5-2-16(3-6-19)13-23-22(25)18-8-10-24(11-9-18)14-17-4-7-20-21(12-17)28-15-27-20/h2-7,12,18H,8-11,13-15H2,1H3,(H,23,25)
InChIKeyRJWRURUOZUJKAD-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.95
Rot. Bonds6

About 1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 2903356) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID2903356
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1
InChIInChI=1S/C22H26N2O4/c1-26-19-5-2-16(3-6-19)13-23-22(25)18-8-10-24(11-9-18)14-17-4-7-20-21(12-17)28-15-27-20/h2-7,12,18H,8-11,13-15H2,1H3,(H,23,25)
InChIKeyRJWRURUOZUJKAD-UHFFFAOYSA-N
XLogP2.95
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 2903356) is 1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is RJWRURUOZUJKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-26-19-5-2-16(3-6-19)13-23-22(25)18-8-10-24(11-9-18)14-17-4-7-20-21(12-17)28-15-27-20/h2-7,12,18H,8-11,13-15H2,1H3,(H,23,25).
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 2903356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).