ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate

C16H21N5O3 — CID 72889347

IUPACethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2ccc3cnn(C)c3c2)CC1
InChIInChI=1S/C16H21N5O3/c1-3-24-16(23)21-8-6-20(7-9-21)15(22)18-13-5-4-12-11-17-19(2)14(12)10-13/h4-5,10-11H,3,6-9H2,1-2H3,(H,18,22)
InChIKeyYEYNQFJUTAPVJB-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.88
Rot. Bonds2

About ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate

ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate (PubChem CID 72889347) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate
PubChem CID72889347
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Nameethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Nc2ccc3cnn(C)c3c2)CC1
InChIInChI=1S/C16H21N5O3/c1-3-24-16(23)21-8-6-20(7-9-21)15(22)18-13-5-4-12-11-17-19(2)14(12)10-13/h4-5,10-11H,3,6-9H2,1-2H3,(H,18,22)
InChIKeyYEYNQFJUTAPVJB-UHFFFAOYSA-N
XLogP1.88
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methylimidazol-2-yl)methyl]-N-(1-methylindazol-6-yl)piperazine-1-carboxamide
CID 72841424
ethyl 4-(quinoxalin-6-ylcarbamoyl)piperazine-1-carboxylate
CID 798084
N-(1-methylindazol-5-yl)thiomorpholine-4-carboxamide
CID 72893991
ethyl 4-[[5-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-2,6-dimethyl-3-pyridinyl]carbamoyl]piperazine-1-carboxylate
CID 4616185
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
ethyl 4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]piperazine-1-carboxylate
CID 108873457
2-amino-5-methyl-N-(1-methylindazol-6-yl)benzamide
CID 110485992
ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate
CID 60617047
N-(1-methylindazol-6-yl)-5-oxopyrrolidine-2-carboxamide
CID 110462131
ethyl 2-[6-[(2-chloroacetyl)amino]indazol-1-yl]acetate
CID 166403884
N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide
CID 110475629
N,1-dimethylindazol-6-amine
CID 23544368

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate (CID 72889347) is ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Nc2ccc3cnn(C)c3c2)CC1.
What is the InChIKey of ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate?
The InChIKey is YEYNQFJUTAPVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-3-24-16(23)21-8-6-20(7-9-21)15(22)18-13-5-4-12-11-17-19(2)14(12)10-13/h4-5,10-11H,3,6-9H2,1-2H3,(H,18,22).
What are the key properties of ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate?
ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate has a molecular weight of 331.38 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-methylindazol-6-yl)carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 72889347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).