ethyl 4-[(2-indazol-1-ylacetyl)amino]piperidine-1-carboxylate

C17H22N4O3 — CID 3236312

IUPACethyl 4-[(2-indazol-1-ylacetyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2ncc3ccccc32)CC1
InChIInChI=1S/C17H22N4O3/c1-2-24-17(23)20-9-7-14(8-10-20)19-16(22)12-21-15-6-4-3-5-13(15)11-18-21/h3-6,11,14H,2,7-10,12H2,1H3,(H,19,22)
InChIKeyIWXRJTMPGXVVSQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.77
Rot. Bonds4

About ethyl 4-[(2-indazol-1-ylacetyl)amino]piperidine-1-carboxylate

ethyl 4-[(2-indazol-1-ylacetyl)amino]piperidine-1-carboxylate (PubChem CID 3236312) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is ethyl 4-[(2-indazol-1-ylacetyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-indazol-1-ylacetyl)amino]piperidine-1-carboxylate
PubChem CID3236312
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Nameethyl 4-[(2-indazol-1-ylacetyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cn2ncc3ccccc32)CC1
InChIInChI=1S/C17H22N4O3/c1-2-24-17(23)20-9-7-14(8-10-20)19-16(22)12-21-15-6-4-3-5-13(15)11-18-21/h3-6,11,14H,2,7-10,12H2,1H3,(H,19,22)
InChIKeyIWXRJTMPGXVVSQ-UHFFFAOYSA-N
XLogP1.77
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-diethoxyethyl)-2-(3-methyl-1H-indazol-1-yl)acetamide
CID 4295387
2-(1H-indazol-1-yl)-N-mesitylacetamide
CID 20885360
2-(1H-indazol-1-yl)-N-(4-isopropylphenyl)acetamide
CID 20885372
N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309243
N-(1-methylpiperidin-4-yl)-1-propan-2-ylindazole-3-carboxamide
CID 10494465
N-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide
CID 10499481
N-(3-piperidin-1-ylpropyl)-1-propan-2-ylindazole-3-carboxamide
CID 10592401
N-(4-piperidin-1-ylbutyl)-1-propan-2-ylindazole-3-carboxamide
CID 10593430
N-(2-piperidin-1-ylethyl)-1-propan-2-ylindazole-3-carboxamide
CID 10734058
2-(1H-indazol-1-yl)-N,N-dimethylacetamide
CID 84583666
1-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-indazole
CID 3239674
2-Indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone
CID 5307808

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-indazol-1-ylacetyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-indazol-1-ylacetyl)amino]piperidine-1-carboxylate (CID 3236312) is ethyl 4-[(2-indazol-1-ylacetyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-indazol-1-ylacetyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-indazol-1-ylacetyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cn2ncc3ccccc32)CC1.
What is the InChIKey of ethyl 4-[(2-indazol-1-ylacetyl)amino]piperidine-1-carboxylate?
The InChIKey is IWXRJTMPGXVVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-24-17(23)20-9-7-14(8-10-20)19-16(22)12-21-15-6-4-3-5-13(15)11-18-21/h3-6,11,14H,2,7-10,12H2,1H3,(H,19,22).
What are the key properties of ethyl 4-[(2-indazol-1-ylacetyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-indazol-1-ylacetyl)amino]piperidine-1-carboxylate has a molecular weight of 330.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-indazol-1-ylacetyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 3236312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).