N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C18H20N4O3 — CID 653162

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H20N4O3/c23-17(21-14-4-5-15-16(11-14)25-10-9-24-15)13-3-1-8-22(12-13)18-19-6-2-7-20-18/h2,4-7,11,13H,1,3,8-10,12H2,(H,21,23)
InChIKeyXBJRXNJEGXBTCT-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.10
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 653162) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID653162
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H20N4O3/c23-17(21-14-4-5-15-16(11-14)25-10-9-24-15)13-3-1-8-22(12-13)18-19-6-2-7-20-18/h2,4-7,11,13H,1,3,8-10,12H2,(H,21,23)
InChIKeyXBJRXNJEGXBTCT-UHFFFAOYSA-N
XLogP2.10
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.10
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-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 653162) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is XBJRXNJEGXBTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-17(21-14-4-5-15-16(11-14)25-10-9-24-15)13-3-1-8-22(12-13)18-19-6-2-7-20-18/h2,4-7,11,13H,1,3,8-10,12H2,(H,21,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.10, 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-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 653162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).