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

C19H22N4O3 — CID 3223188

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)n1
InChIInChI=1S/C19H22N4O3/c1-13-4-7-20-19(21-13)23-8-5-14(6-9-23)18(24)22-15-2-3-16-17(12-15)26-11-10-25-16/h2-4,7,12,14H,5-6,8-11H2,1H3,(H,22,24)
InChIKeyKMZIEICPTJTOHJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.41
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (PubChem CID 3223188) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
PubChem CID3223188
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
SMILESCc1ccnc(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)n1
InChIInChI=1S/C19H22N4O3/c1-13-4-7-20-19(21-13)23-8-5-14(6-9-23)18(24)22-15-2-3-16-17(12-15)26-11-10-25-16/h2-4,7,12,14H,5-6,8-11H2,1H3,(H,22,24)
InChIKeyKMZIEICPTJTOHJ-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide (CID 3223188) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide is Cc1ccnc(N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
The InChIKey is KMZIEICPTJTOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-4-7-20-19(21-13)23-8-5-14(6-9-23)18(24)22-15-2-3-16-17(12-15)26-11-10-25-16/h2-4,7,12,14H,5-6,8-11H2,1H3,(H,22,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.41, 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-methylpyrimidin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 3223188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).