N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide

C23H29N3O3 — CID 165115965

IUPACN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
SMILESCc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cccc2c1OCCO2
InChIInChI=1S/C23H29N3O3/c1-16-7-8-18(26-11-9-25(3)10-12-26)15-20(16)23(27)24-17(2)19-5-4-6-21-22(19)29-14-13-28-21/h4-8,15,17H,9-14H2,1-3H3,(H,24,27)/t17-/m1/s1
InChIKeyRYCFSBFZPBAHNY-QGZVFWFLSA-N
MW395.50 g/mol
LogP3.01
Rot. Bonds4

About N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide (PubChem CID 165115965) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
PubChem CID165115965
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide
SMILESCc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cccc2c1OCCO2
InChIInChI=1S/C23H29N3O3/c1-16-7-8-18(26-11-9-25(3)10-12-26)15-20(16)23(27)24-17(2)19-5-4-6-21-22(19)29-14-13-28-21/h4-8,15,17H,9-14H2,1-3H3,(H,24,27)/t17-/m1/s1
InChIKeyRYCFSBFZPBAHNY-QGZVFWFLSA-N
XLogP3.01
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide (CID 165115965) is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide is Cc1ccc(N2CCN(C)CC2)cc1C(=O)N[C@H](C)c1cccc2c1OCCO2.
What is the InChIKey of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is RYCFSBFZPBAHNY-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16-7-8-18(26-11-9-25(3)10-12-26)15-20(16)23(27)24-17(2)19-5-4-6-21-22(19)29-14-13-28-21/h4-8,15,17H,9-14H2,1-3H3,(H,24,27)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide?
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 395.50 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 165115965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).