2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide

C16H22N6O2 — CID 55519631

IUPAC2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C16H22N6O2/c1-11(2)17-15(23)10-21-5-7-22(8-6-21)16(24)12-3-4-13-14(9-12)19-20-18-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,23)(H,18,19,20)
InChIKeyYYEBUADIEYDPMK-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.24
Rot. Bonds4

About 2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 55519631) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID55519631
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C16H22N6O2/c1-11(2)17-15(23)10-21-5-7-22(8-6-21)16(24)12-3-4-13-14(9-12)19-20-18-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,23)(H,18,19,20)
InChIKeyYYEBUADIEYDPMK-UHFFFAOYSA-N
XLogP0.24
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 55519631) is 2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1.
What is the InChIKey of 2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is YYEBUADIEYDPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11(2)17-15(23)10-21-5-7-22(8-6-21)16(24)12-3-4-13-14(9-12)19-20-18-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,17,23)(H,18,19,20).
What are the key properties of 2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 330.39 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2H-benzotriazole-5-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 55519631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).