[5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

C19H32N4O — CID 45162163

IUPAC[5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCCCCN(C)C1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1
InChIInChI=1S/C19H32N4O/c1-4-5-11-21(2)15-9-10-17-16(14-15)18(20-22(17)3)19(24)23-12-7-6-8-13-23/h15H,4-14H2,1-3H3
InChIKeyCSXHWBDGTDLLPF-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.64
Rot. Bonds5

About [5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

[5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 45162163) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is [5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
PubChem CID45162163
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name[5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCCCCN(C)C1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1
InChIInChI=1S/C19H32N4O/c1-4-5-11-21(2)15-9-10-17-16(14-15)18(20-22(17)3)19(24)23-12-7-6-8-13-23/h15H,4-14H2,1-3H3
InChIKeyCSXHWBDGTDLLPF-UHFFFAOYSA-N
XLogP2.64
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (CID 45162163) is [5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is CCCCN(C)C1CCc2c(c(C(=O)N3CCCCC3)nn2C)C1.
What is the InChIKey of [5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is CSXHWBDGTDLLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-4-5-11-21(2)15-9-10-17-16(14-15)18(20-22(17)3)19(24)23-12-7-6-8-13-23/h15H,4-14H2,1-3H3.
What are the key properties of [5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
[5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 332.49 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[butyl(methyl)amino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 45162163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).