ethyl 2-[1-[(2-methylindazole-4-carbonyl)amino]piperidin-4-ylidene]acetate

C18H22N4O3 — CID 138670668

IUPACethyl 2-[1-[(2-methylindazole-4-carbonyl)amino]piperidin-4-ylidene]acetate
SMILESCCOC(=O)C=C1CCN(NC(=O)c2cccc3nn(C)cc23)CC1
InChIInChI=1S/C18H22N4O3/c1-3-25-17(23)11-13-7-9-22(10-8-13)20-18(24)14-5-4-6-16-15(14)12-21(2)19-16/h4-6,11-12H,3,7-10H2,1-2H3,(H,20,24)
InChIKeyCNVAGVCKOJQIOT-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.80
Rot. Bonds4

About ethyl 2-[1-[(2-methylindazole-4-carbonyl)amino]piperidin-4-ylidene]acetate

ethyl 2-[1-[(2-methylindazole-4-carbonyl)amino]piperidin-4-ylidene]acetate (PubChem CID 138670668) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 2-[1-[(2-methylindazole-4-carbonyl)amino]piperidin-4-ylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[(2-methylindazole-4-carbonyl)amino]piperidin-4-ylidene]acetate
PubChem CID138670668
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Nameethyl 2-[1-[(2-methylindazole-4-carbonyl)amino]piperidin-4-ylidene]acetate
SMILESCCOC(=O)C=C1CCN(NC(=O)c2cccc3nn(C)cc23)CC1
InChIInChI=1S/C18H22N4O3/c1-3-25-17(23)11-13-7-9-22(10-8-13)20-18(24)14-5-4-6-16-15(14)12-21(2)19-16/h4-6,11-12H,3,7-10H2,1-2H3,(H,20,24)
InChIKeyCNVAGVCKOJQIOT-UHFFFAOYSA-N
XLogP1.80
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methylindazole-4-carboxamide
CID 138670671
ethyl 2-cyclobutylideneacetate
CID 15724666
ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate
CID 59395234
ethyl 2-(1-benzylpiperidin-4-ylidene)acetate;hydrochloride
CID 13349685
ethyl (E)-3-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]but-2-enoate
CID 19511921
4-buta-1,3-dien-2-yl-2-methylindazole
CID 123545046
N-[4-[2-[4-[5,5-difluoropentan-2-yl(methyl)amino]-5-methyl-2,3,6,7-tetrahydroazepin-1-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 155347234
methyl 3-[1-[2-[4-[(2-methylindazole-4-carbonyl)amino]cyclohexyl]ethyl]-2,3,6,7-tetrahydroazepin-4-yl]propanimidate
CID 155347263
2,4-dimethylindazole;ethane
CID 90974355
3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide
CID 102803184
N-[4-[2-[2-(cyclopropylmethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138671181
N-[4-[2-(2-cyclobutyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)ethyl]cyclohexyl]-2-methylindazole-4-carboxamide
CID 138670504

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[(2-methylindazole-4-carbonyl)amino]piperidin-4-ylidene]acetate?
The IUPAC name of ethyl 2-[1-[(2-methylindazole-4-carbonyl)amino]piperidin-4-ylidene]acetate (CID 138670668) is ethyl 2-[1-[(2-methylindazole-4-carbonyl)amino]piperidin-4-ylidene]acetate.
What is the SMILES notation for ethyl 2-[1-[(2-methylindazole-4-carbonyl)amino]piperidin-4-ylidene]acetate?
The canonical SMILES for ethyl 2-[1-[(2-methylindazole-4-carbonyl)amino]piperidin-4-ylidene]acetate is CCOC(=O)C=C1CCN(NC(=O)c2cccc3nn(C)cc23)CC1.
What is the InChIKey of ethyl 2-[1-[(2-methylindazole-4-carbonyl)amino]piperidin-4-ylidene]acetate?
The InChIKey is CNVAGVCKOJQIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-25-17(23)11-13-7-9-22(10-8-13)20-18(24)14-5-4-6-16-15(14)12-21(2)19-16/h4-6,11-12H,3,7-10H2,1-2H3,(H,20,24).
What are the key properties of ethyl 2-[1-[(2-methylindazole-4-carbonyl)amino]piperidin-4-ylidene]acetate?
ethyl 2-[1-[(2-methylindazole-4-carbonyl)amino]piperidin-4-ylidene]acetate has a molecular weight of 342.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[(2-methylindazole-4-carbonyl)amino]piperidin-4-ylidene]acetate is sourced from PubChem (CID 138670668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).