N-(1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

C19H22N4O3 — CID 645742

IUPACN-(1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C19H22N4O3/c1-12-9-13(2)21-19(20-12)23-7-5-14(6-8-23)18(24)22-15-3-4-16-17(10-15)26-11-25-16/h3-4,9-10,14H,5-8,11H2,1-2H3,(H,22,24)
InChIKeyAUVBLTKMOCPDQB-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.68
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 645742) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID645742
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1cc(C)nc(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1
InChIInChI=1S/C19H22N4O3/c1-12-9-13(2)21-19(20-12)23-7-5-14(6-8-23)18(24)22-15-3-4-16-17(10-15)26-11-25-16/h3-4,9-10,14H,5-8,11H2,1-2H3,(H,22,24)
InChIKeyAUVBLTKMOCPDQB-UHFFFAOYSA-N
XLogP2.68
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide (CID 645742) is N-(1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is AUVBLTKMOCPDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-9-13(2)21-19(20-12)23-7-5-14(6-8-23)18(24)22-15-3-4-16-17(10-15)26-11-25-16/h3-4,9-10,14H,5-8,11H2,1-2H3,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 645742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).