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

C19H21N3O3 — CID 1474781

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21N3O3/c23-19(20-15-6-7-17-18(14-15)25-13-12-24-17)22-10-8-21(9-11-22)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,20,23)
InChIKeyNGNFKBYLNTWQBR-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.81
Rot. Bonds2

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperazine-1-carboxamide (PubChem CID 1474781) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperazine-1-carboxamide
PubChem CID1474781
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21N3O3/c23-19(20-15-6-7-17-18(14-15)25-13-12-24-17)22-10-8-21(9-11-22)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,20,23)
InChIKeyNGNFKBYLNTWQBR-UHFFFAOYSA-N
XLogP2.81
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Eltoprazine
CID 65853
Eltoprazine hydrochloride
CID 3025067
1-(4-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25014697
1-(3-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25015710
[4-(2,3-Dihydro-1,4-benzodioxin-6-ylcarbamoylamino)phenyl] sulfamate
CID 70696645
1-(4-Fluoro-3-(3-morpholinopropoxy)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 25015206
1-((S)-1-(((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperidin-3-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 138621427
(2,3-Dihydro-1,4-benzodioxin-6-yl)urea
CID 3837306
2-(4-benzylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2332755
1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-yl]-ethyl}-3-(4-methoxy-phenyl)-urea
CID 10741057
1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-yl]-ethyl}-3-(4-hydroxy-phenyl)-urea
CID 10787782
1-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-yl]-ethyl}-3-phenyl-urea
CID 10834528

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperazine-1-carboxamide (CID 1474781) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperazine-1-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is NGNFKBYLNTWQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c23-19(20-15-6-7-17-18(14-15)25-13-12-24-17)22-10-8-21(9-11-22)16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H,20,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperazine-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 1474781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).