ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate

C16H20N4O3 — CID 42477818

IUPACethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C16H20N4O3/c1-2-23-16(22)20-9-7-11(8-10-20)17-15(21)14-12-5-3-4-6-13(12)18-19-14/h3-6,11H,2,7-10H2,1H3,(H,17,21)(H,18,19)
InChIKeyUGSXTZJQEBDSRF-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.91
Rot. Bonds3

About ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate

ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate (PubChem CID 42477818) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
PubChem CID42477818
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Nameethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C16H20N4O3/c1-2-23-16(22)20-9-7-11(8-10-20)17-15(21)14-12-5-3-4-6-13(12)18-19-14/h3-6,11H,2,7-10H2,1H3,(H,17,21)(H,18,19)
InChIKeyUGSXTZJQEBDSRF-UHFFFAOYSA-N
XLogP1.91
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057
N-[1-(3-methylbutanoyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 52768718
N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 51110170
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
N-(1-methyl-2-methylidenepiperidin-4-yl)-1H-indazole-3-carboxamide
CID 89010317
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide
CID 64982870
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 46636610
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787
ethyl 4-[(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 136832042
ethyl 4-[(6-phenylpyridazine-3-carbonyl)amino]piperidine-1-carboxylate
CID 113200571

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate (CID 42477818) is ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate?
The InChIKey is UGSXTZJQEBDSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-2-23-16(22)20-9-7-11(8-10-20)17-15(21)14-12-5-3-4-6-13(12)18-19-14/h3-6,11H,2,7-10H2,1H3,(H,17,21)(H,18,19).
What are the key properties of ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate?
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 42477818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).