ethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate

C20H23N3O4 — CID 20880042

IUPACethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)C1
InChIInChI=1S/C20H23N3O4/c1-2-26-20(25)14-6-5-9-22(11-14)18(24)12-23-19-15(10-21-23)13-27-17-8-4-3-7-16(17)19/h3-4,7-8,10,14H,2,5-6,9,11-13H2,1H3
InChIKeyQDUBUYYNGBGPLZ-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.24
Rot. Bonds4

About ethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate (PubChem CID 20880042) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is ethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate
PubChem CID20880042
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Nameethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)C1
InChIInChI=1S/C20H23N3O4/c1-2-26-20(25)14-6-5-9-22(11-14)18(24)12-23-19-15(10-21-23)13-27-17-8-4-3-7-16(17)19/h3-4,7-8,10,14H,2,5-6,9,11-13H2,1H3
InChIKeyQDUBUYYNGBGPLZ-UHFFFAOYSA-N
XLogP2.24
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 20880024
ethyl 1-[2-(2,3-dihydro-1-benzofuran-3-yl)acetyl]piperidine-3-carboxylate
CID 110753790
ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate
CID 78782540
ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate
CID 20884665
1-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502855
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 20880043
ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate
CID 39950024
N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20880030
ethyl 1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43409437
2-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19494067
ethyl 1-[2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxylate
CID 110673618
ethyl 1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate
CID 110689806

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate (CID 20880042) is ethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)C1.
What is the InChIKey of ethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate?
The InChIKey is QDUBUYYNGBGPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-2-26-20(25)14-6-5-9-22(11-14)18(24)12-23-19-15(10-21-23)13-27-17-8-4-3-7-16(17)19/h3-4,7-8,10,14H,2,5-6,9,11-13H2,1H3.
What are the key properties of ethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 20880042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).