N-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C19H33N5O — CID 5307720

IUPACN-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCCCN1CCN(CCCNC(=O)Cn2cc3c(n2)CCCC3)CC1
InChIInChI=1S/C19H33N5O/c1-2-9-22-11-13-23(14-12-22)10-5-8-20-19(25)16-24-15-17-6-3-4-7-18(17)21-24/h15H,2-14,16H2,1H3,(H,20,25)
InChIKeyJTNMFMMFPAJVAG-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.30
Rot. Bonds8

About N-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5307720) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is N-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5307720
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC NameN-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCCCN1CCN(CCCNC(=O)Cn2cc3c(n2)CCCC3)CC1
InChIInChI=1S/C19H33N5O/c1-2-9-22-11-13-23(14-12-22)10-5-8-20-19(25)16-24-15-17-6-3-4-7-18(17)21-24/h15H,2-14,16H2,1H3,(H,20,25)
InChIKeyJTNMFMMFPAJVAG-UHFFFAOYSA-N
XLogP1.30
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5307720) is N-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is CCCN1CCN(CCCNC(=O)Cn2cc3c(n2)CCCC3)CC1.
What is the InChIKey of N-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is JTNMFMMFPAJVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-2-9-22-11-13-23(14-12-22)10-5-8-20-19(25)16-24-15-17-6-3-4-7-18(17)21-24/h15H,2-14,16H2,1H3,(H,20,25).
What are the key properties of N-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 347.51 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-propylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5307720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).