ethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate

C18H26N4O2 — CID 50951872

IUPACethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2nn(C)c3ccc(C)cc23)CC1
InChIInChI=1S/C18H26N4O2/c1-4-24-18(23)22-9-7-14(8-10-22)19-12-16-15-11-13(2)5-6-17(15)21(3)20-16/h5-6,11,14,19H,4,7-10,12H2,1-3H3
InChIKeyJQACWFLRDIFBAL-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.59
Rot. Bonds4

About ethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate

ethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate (PubChem CID 50951872) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is ethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate
PubChem CID50951872
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Nameethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2nn(C)c3ccc(C)cc23)CC1
InChIInChI=1S/C18H26N4O2/c1-4-24-18(23)22-9-7-14(8-10-22)19-12-16-15-11-13(2)5-6-17(15)21(3)20-16/h5-6,11,14,19H,4,7-10,12H2,1-3H3
InChIKeyJQACWFLRDIFBAL-UHFFFAOYSA-N
XLogP2.59
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylindazol-3-yl)methyl]-3-azaspiro[5.5]undecan-9-amine;dihydrochloride
CID 154924781
ethyl 4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 103884572
ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate
CID 81318643
ethyl 4-(1,3-benzodioxol-5-ylmethylamino)piperidine-1-carboxylate
CID 2846590
ethyl 4-[(5-methylpyrazin-2-yl)methylamino]piperidine-1-carboxylate
CID 62847535
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531
ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003606
ethyl 4-(1H-1,2,4-triazol-5-ylmethylamino)piperidine-1-carboxylate
CID 54884832
ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate
CID 43761080
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 70775694
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172664883
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate (CID 50951872) is ethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCc2nn(C)c3ccc(C)cc23)CC1.
What is the InChIKey of ethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is JQACWFLRDIFBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-24-18(23)22-9-7-14(8-10-22)19-12-16-15-11-13(2)5-6-17(15)21(3)20-16/h5-6,11,14,19H,4,7-10,12H2,1-3H3.
What are the key properties of ethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate?
ethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1,5-dimethylindazol-3-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 50951872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).