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

C19H32N4O — CID 5309382

IUPACN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCC1CCCC(C)N1CCCNC(=O)Cn1cc2c(n1)CCCC2
InChIInChI=1S/C19H32N4O/c1-15-7-5-8-16(2)23(15)12-6-11-20-19(24)14-22-13-17-9-3-4-10-18(17)21-22/h13,15-16H,3-12,14H2,1-2H3,(H,20,24)
InChIKeySPWRAWWPZCLIEF-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.53
Rot. Bonds6

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

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5309382) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5309382
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESCC1CCCC(C)N1CCCNC(=O)Cn1cc2c(n1)CCCC2
InChIInChI=1S/C19H32N4O/c1-15-7-5-8-16(2)23(15)12-6-11-20-19(24)14-22-13-17-9-3-4-10-18(17)21-22/h13,15-16H,3-12,14H2,1-2H3,(H,20,24)
InChIKeySPWRAWWPZCLIEF-UHFFFAOYSA-N
XLogP2.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide
CID 5307336
N-(2,3-dimethylcyclohexyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307420
N-[2-(cyclohexen-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307608
1-(Azepan-1-yl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5308236
ethyl 4-[[2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 5308521
Ethyl 4-[[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 5308852
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309025
N-[3-(diethylamino)propyl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309109
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-(3-propylsulfanylpropyl)acetamide
CID 5309215
N-(4-methylcyclohexyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309319
2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 5309454
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309687

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5309382) is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is CC1CCCC(C)N1CCCNC(=O)Cn1cc2c(n1)CCCC2.
What is the InChIKey of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is SPWRAWWPZCLIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-15-7-5-8-16(2)23(15)12-6-11-20-19(24)14-22-13-17-9-3-4-10-18(17)21-22/h13,15-16H,3-12,14H2,1-2H3,(H,20,24).
What are the key properties of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 332.49 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5309382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).