4-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperazine-1-carboxamide

C19H22N4O3 — CID 78164220

IUPAC4-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(Cc2ccc(C3COc4cccnc4O3)cc2)CC1
InChIInChI=1S/C19H22N4O3/c20-19(24)23-10-8-22(9-11-23)12-14-3-5-15(6-4-14)17-13-25-16-2-1-7-21-18(16)26-17/h1-7,17H,8-13H2,(H2,20,24)
InChIKeyASQCMCSNXMCKHR-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.79
Rot. Bonds3

About 4-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperazine-1-carboxamide

4-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 78164220) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID78164220
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(Cc2ccc(C3COc4cccnc4O3)cc2)CC1
InChIInChI=1S/C19H22N4O3/c20-19(24)23-10-8-22(9-11-23)12-14-3-5-15(6-4-14)17-13-25-16-2-1-7-21-18(16)26-17/h1-7,17H,8-13H2,(H2,20,24)
InChIKeyASQCMCSNXMCKHR-UHFFFAOYSA-N
XLogP1.79
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperazine-1-carboxamide (CID 78164220) is 4-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperazine-1-carboxamide is NC(=O)N1CCN(Cc2ccc(C3COc4cccnc4O3)cc2)CC1.
What is the InChIKey of 4-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is ASQCMCSNXMCKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c20-19(24)23-10-8-22(9-11-23)12-14-3-5-15(6-4-14)17-13-25-16-2-1-7-21-18(16)26-17/h1-7,17H,8-13H2,(H2,20,24).
What are the key properties of 4-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperazine-1-carboxamide?
4-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 78164220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).