N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

C19H21N3O5 — CID 655656

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H21N3O5/c23-18(20-14-3-4-15-17(12-14)27-11-10-26-15)13-21-5-7-22(8-6-21)19(24)16-2-1-9-25-16/h1-4,9,12H,5-8,10-11,13H2,(H,20,23)
InChIKeyCCLACQNSZHZXAI-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.45
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 655656) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID655656
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H21N3O5/c23-18(20-14-3-4-15-17(12-14)27-11-10-26-15)13-21-5-7-22(8-6-21)19(24)16-2-1-9-25-16/h1-4,9,12H,5-8,10-11,13H2,(H,20,23)
InChIKeyCCLACQNSZHZXAI-UHFFFAOYSA-N
XLogP1.45
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 10735128
1-(2-Furoyl)-4-(2-methoxyphenyl)piperazine
CID 595810
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 3127685
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride
CID 44585363
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)furan-2-carboxamide
CID 734541
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-[4-(4-acetyl-1-piperazinyl)phenyl]-2-furamide
CID 842983
Furan-2-carboxylic acid [2-(4-isobutyryl-piperazin-1-yl)-phenyl]-amide
CID 953772
N-(3,4-dimethoxyphenyl)-N'-(2-furylmethyl)urea
CID 970043
N-{2-[(2,5-dimethoxyphenyl)amino]-2-oxoethyl}furan-2-carboxamide
CID 1243336
(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 1566650
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-yl)prop-2-enamide
CID 2162339

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (CID 655656) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is CCLACQNSZHZXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c23-18(20-14-3-4-15-17(12-14)27-11-10-26-15)13-21-5-7-22(8-6-21)19(24)16-2-1-9-25-16/h1-4,9,12H,5-8,10-11,13H2,(H,20,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 371.39 g/mol, XLogP of 1.45, 4 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)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 655656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).