N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide

C22H25N5O3 — CID 645380

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C22H25N5O3/c1-15-2-4-19-18(12-15)24-25-27(19)17-6-8-26(9-7-17)14-22(28)23-16-3-5-20-21(13-16)30-11-10-29-20/h2-5,12-13,17H,6-11,14H2,1H3,(H,23,28)
InChIKeyMTKCSJGOGLZBIT-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.79
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 645380) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
PubChem CID645380
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C22H25N5O3/c1-15-2-4-19-18(12-15)24-25-27(19)17-6-8-26(9-7-17)14-22(28)23-16-3-5-20-21(13-16)30-11-10-29-20/h2-5,12-13,17H,6-11,14H2,1H3,(H,23,28)
InChIKeyMTKCSJGOGLZBIT-UHFFFAOYSA-N
XLogP2.79
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide (CID 645380) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide is Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is MTKCSJGOGLZBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-15-2-4-19-18(12-15)24-25-27(19)17-6-8-26(9-7-17)14-22(28)23-16-3-5-20-21(13-16)30-11-10-29-20/h2-5,12-13,17H,6-11,14H2,1H3,(H,23,28).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.79, 4 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)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 645380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).