N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C16H27N5O — CID 20892336

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCN1CCN(CCNC(=O)Cn2cc3c(n2)CCCC3)CC1
InChIInChI=1S/C16H27N5O/c1-19-8-10-20(11-9-19)7-6-17-16(22)13-21-12-14-4-2-3-5-15(14)18-21/h12H,2-11,13H2,1H3,(H,17,22)
InChIKeyWAVGYXQAIQNQJR-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.13
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 20892336) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID20892336
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCN1CCN(CCNC(=O)Cn2cc3c(n2)CCCC3)CC1
InChIInChI=1S/C16H27N5O/c1-19-8-10-20(11-9-19)7-6-17-16(22)13-21-12-14-4-2-3-5-15(14)18-21/h12H,2-11,13H2,1H3,(H,17,22)
InChIKeyWAVGYXQAIQNQJR-UHFFFAOYSA-N
XLogP0.13
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 20892336) is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is CN1CCN(CCNC(=O)Cn2cc3c(n2)CCCC3)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is WAVGYXQAIQNQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-19-8-10-20(11-9-19)7-6-17-16(22)13-21-12-14-4-2-3-5-15(14)18-21/h12H,2-11,13H2,1H3,(H,17,22).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 305.43 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 20892336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).