N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

C19H23N5O3 — CID 24560890

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H23N5O3/c25-18(22-15-2-3-16-17(14-15)27-13-12-26-16)4-7-23-8-10-24(11-9-23)19-20-5-1-6-21-19/h1-3,5-6,14H,4,7-13H2,(H,22,25)
InChIKeyAWAZPNOUNHRZSI-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.40
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (PubChem CID 24560890) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
PubChem CID24560890
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H23N5O3/c25-18(22-15-2-3-16-17(14-15)27-13-12-26-16)4-7-23-8-10-24(11-9-23)19-20-5-1-6-21-19/h1-3,5-6,14H,4,7-13H2,(H,22,25)
InChIKeyAWAZPNOUNHRZSI-UHFFFAOYSA-N
XLogP1.40
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 13210213
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 704893
N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030558
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30957498
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030478
3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide
CID 33208630
ethyl 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]benzoate
CID 109030572
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146864
N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24587396
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 55933194
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride
CID 21228925

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (CID 24560890) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is O=C(CCN1CCN(c2ncccn2)CC1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is AWAZPNOUNHRZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-18(22-15-2-3-16-17(14-15)27-13-12-26-16)4-7-23-8-10-24(11-9-23)19-20-5-1-6-21-19/h1-3,5-6,14H,4,7-13H2,(H,22,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 369.43 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 24560890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).