N-(1-methylindazol-4-yl)piperazine-1-carboxamide

C13H17N5O — CID 152683941

IUPACN-(1-methylindazol-4-yl)piperazine-1-carboxamide
SMILESCn1ncc2c(NC(=O)N3CCNCC3)cccc21
InChIInChI=1S/C13H17N5O/c1-17-12-4-2-3-11(10(12)9-15-17)16-13(19)18-7-5-14-6-8-18/h2-4,9,14H,5-8H2,1H3,(H,16,19)
InChIKeyZODJNQGBXRQSKP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.01
Rot. Bonds1

About N-(1-methylindazol-4-yl)piperazine-1-carboxamide

N-(1-methylindazol-4-yl)piperazine-1-carboxamide (PubChem CID 152683941) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(1-methylindazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylindazol-4-yl)piperazine-1-carboxamide
PubChem CID152683941
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC NameN-(1-methylindazol-4-yl)piperazine-1-carboxamide
SMILESCn1ncc2c(NC(=O)N3CCNCC3)cccc21
InChIInChI=1S/C13H17N5O/c1-17-12-4-2-3-11(10(12)9-15-17)16-13(19)18-7-5-14-6-8-18/h2-4,9,14H,5-8H2,1H3,(H,16,19)
InChIKeyZODJNQGBXRQSKP-UHFFFAOYSA-N
XLogP1.01
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylindazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(1-methylindazol-4-yl)piperazine-1-carboxamide (CID 152683941) is N-(1-methylindazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-methylindazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-methylindazol-4-yl)piperazine-1-carboxamide is Cn1ncc2c(NC(=O)N3CCNCC3)cccc21.
What is the InChIKey of N-(1-methylindazol-4-yl)piperazine-1-carboxamide?
The InChIKey is ZODJNQGBXRQSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17-12-4-2-3-11(10(12)9-15-17)16-13(19)18-7-5-14-6-8-18/h2-4,9,14H,5-8H2,1H3,(H,16,19).
What are the key properties of N-(1-methylindazol-4-yl)piperazine-1-carboxamide?
N-(1-methylindazol-4-yl)piperazine-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 152683941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).