N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

C20H24N4O3 — CID 645156

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3ccc4c(c3)OCCO4)C2)n1
InChIInChI=1S/C20H24N4O3/c1-13-10-14(2)22-20(21-13)24-7-3-4-15(12-24)19(25)23-16-5-6-17-18(11-16)27-9-8-26-17/h5-6,10-11,15H,3-4,7-9,12H2,1-2H3,(H,23,25)
InChIKeyWOBJBMIHCHKPLH-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.72
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 645156) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID645156
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1cc(C)nc(N2CCCC(C(=O)Nc3ccc4c(c3)OCCO4)C2)n1
InChIInChI=1S/C20H24N4O3/c1-13-10-14(2)22-20(21-13)24-7-3-4-15(12-24)19(25)23-16-5-6-17-18(11-16)27-9-8-26-17/h5-6,10-11,15H,3-4,7-9,12H2,1-2H3,(H,23,25)
InChIKeyWOBJBMIHCHKPLH-UHFFFAOYSA-N
XLogP2.72
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (CID 645156) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1cc(C)nc(N2CCCC(C(=O)Nc3ccc4c(c3)OCCO4)C2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is WOBJBMIHCHKPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-10-14(2)22-20(21-13)24-7-3-4-15(12-24)19(25)23-16-5-6-17-18(11-16)27-9-8-26-17/h5-6,10-11,15H,3-4,7-9,12H2,1-2H3,(H,23,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 645156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).