N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide

C18H27N5O2 — CID 166250876

IUPACN-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide
SMILESCC1CCc2[nH]ncc2C1C(=O)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C18H27N5O2/c1-12-2-5-15-14(10-19-21-15)17(12)18(25)23-8-6-22(7-9-23)11-16(24)20-13-3-4-13/h10,12-13,17H,2-9,11H2,1H3,(H,19,21)(H,20,24)
InChIKeyJGABNJAHSSDNNV-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.50
Rot. Bonds4

About N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide (PubChem CID 166250876) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide
PubChem CID166250876
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide
SMILESCC1CCc2[nH]ncc2C1C(=O)N1CCN(CC(=O)NC2CC2)CC1
InChIInChI=1S/C18H27N5O2/c1-12-2-5-15-14(10-19-21-15)17(12)18(25)23-8-6-22(7-9-23)11-16(24)20-13-3-4-13/h10,12-13,17H,2-9,11H2,1H3,(H,19,21)(H,20,24)
InChIKeyJGABNJAHSSDNNV-UHFFFAOYSA-N
XLogP0.50
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide with MolForge

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Related Compounds

azetidin-1-yl-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 166254151
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N-cyclopropyl-2-[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]acetamide
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CID 120703373
N-cyclopropyl-2-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]acetamide
CID 146085050
N-cyclopropyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058309
N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 110709709
2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51295287
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 51206875
N-cyclopropyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119835230
4-[2-(cyclohexylamino)-2-oxoethyl]piperazine-1-carbothioic S-acid
CID 132941398

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide (CID 166250876) is N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide is CC1CCc2[nH]ncc2C1C(=O)N1CCN(CC(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is JGABNJAHSSDNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12-2-5-15-14(10-19-21-15)17(12)18(25)23-8-6-22(7-9-23)11-16(24)20-13-3-4-13/h10,12-13,17H,2-9,11H2,1H3,(H,19,21)(H,20,24).
What are the key properties of N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 166250876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).