1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide

C24H30N2O5 — CID 2903344

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC
InChIInChI=1S/C24H30N2O5/c1-28-20-5-3-17(13-22(20)29-2)7-10-25-24(27)19-8-11-26(12-9-19)15-18-4-6-21-23(14-18)31-16-30-21/h3-6,13-14,19H,7-12,15-16H2,1-2H3,(H,25,27)
InChIKeyVDTULHIDRIVHNP-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.00
Rot. Bonds8

About 1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide

1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 2903344) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID2903344
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC
InChIInChI=1S/C24H30N2O5/c1-28-20-5-3-17(13-22(20)29-2)7-10-25-24(27)19-8-11-26(12-9-19)15-18-4-6-21-23(14-18)31-16-30-21/h3-6,13-14,19H,7-12,15-16H2,1-2H3,(H,25,27)
InChIKeyVDTULHIDRIVHNP-UHFFFAOYSA-N
XLogP3.00
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide (CID 2903344) is 1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide is COc1ccc(CCNC(=O)C2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is VDTULHIDRIVHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-28-20-5-3-17(13-22(20)29-2)7-10-25-24(27)19-8-11-26(12-9-19)15-18-4-6-21-23(14-18)31-16-30-21/h3-6,13-14,19H,7-12,15-16H2,1-2H3,(H,25,27).
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 2903344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).