N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylpiperidine-4-carboxamide

C19H21N3O3 — CID 46384705

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H21N3O3/c23-19(21-12-14-1-2-17-18(11-14)25-13-24-17)15-5-9-22(10-6-15)16-3-7-20-8-4-16/h1-4,7-8,11,15H,5-6,9-10,12-13H2,(H,21,23)
InChIKeyULHFBNHAAJZTOV-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.34
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylpiperidine-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 46384705) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID46384705
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H21N3O3/c23-19(21-12-14-1-2-17-18(11-14)25-13-24-17)15-5-9-22(10-6-15)16-3-7-20-8-4-16/h1-4,7-8,11,15H,5-6,9-10,12-13H2,(H,21,23)
InChIKeyULHFBNHAAJZTOV-UHFFFAOYSA-N
XLogP2.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylpiperidine-4-carboxamide (CID 46384705) is N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylpiperidine-4-carboxamide is O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ccncc2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is ULHFBNHAAJZTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-19(21-12-14-1-2-17-18(11-14)25-13-24-17)15-5-9-22(10-6-15)16-3-7-20-8-4-16/h1-4,7-8,11,15H,5-6,9-10,12-13H2,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylpiperidine-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46384705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).