methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate

C22H22N4O4 — CID 16866419

IUPACmethyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H22N4O4/c1-30-22(29)15-6-8-16(9-7-15)23-20(27)14-10-12-26(13-11-14)21(28)19-17-4-2-3-5-18(17)24-25-19/h2-9,14H,10-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyNYFAKIMBGBJMHT-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.84
Rot. Bonds4

About methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate

methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate (PubChem CID 16866419) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate
PubChem CID16866419
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Namemethyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H22N4O4/c1-30-22(29)15-6-8-16(9-7-15)23-20(27)14-10-12-26(13-11-14)21(28)19-17-4-2-3-5-18(17)24-25-19/h2-9,14H,10-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyNYFAKIMBGBJMHT-UHFFFAOYSA-N
XLogP2.84
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

1-(1H-indazole-3-carbonyl)-N-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 47066202
methyl 1-(1H-indazole-3-carbonyl)pyrrolidine-3-carboxylate
CID 47340273
N-(2,4-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide
CID 16866424
N-(2,5-dimethylphenyl)-1-(1H-indazole-3-carbonyl)piperidine-4-carboxamide
CID 16866425
1-(1H-indazole-3-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide
CID 121354980
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
1H-indazol-3-yl-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918253
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 17471128
methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008009
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 70783899
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
1H-indazol-3-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465787

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate (CID 16866419) is methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate?
The InChIKey is NYFAKIMBGBJMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-30-22(29)15-6-8-16(9-7-15)23-20(27)14-10-12-26(13-11-14)21(28)19-17-4-2-3-5-18(17)24-25-19/h2-9,14H,10-13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate?
methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate has a molecular weight of 406.44 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(1H-indazole-3-carbonyl)piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 16866419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).