ethyl (3R)-1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-3-carboxylate

C20H25FN4O3 — CID 30887295

IUPACethyl (3R)-1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C1
InChIInChI=1S/C20H25FN4O3/c1-3-28-20(27)15-5-4-10-24(12-15)13-19(26)22-18-11-14(2)23-25(18)17-8-6-16(21)7-9-17/h6-9,11,15H,3-5,10,12-13H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyIFIDAYCJUGTIDK-OAHLLOKOSA-N
MW388.44 g/mol
LogP2.53
Rot. Bonds6

About ethyl (3R)-1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-3-carboxylate

ethyl (3R)-1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 30887295) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is ethyl (3R)-1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-3-carboxylate
PubChem CID30887295
Molecular FormulaC20H25FN4O3
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC Nameethyl (3R)-1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C1
InChIInChI=1S/C20H25FN4O3/c1-3-28-20(27)15-5-4-10-24(12-15)13-19(26)22-18-11-14(2)23-25(18)17-8-6-16(21)7-9-17/h6-9,11,15H,3-5,10,12-13H2,1-2H3,(H,22,26)/t15-/m1/s1
InChIKeyIFIDAYCJUGTIDK-OAHLLOKOSA-N
XLogP2.53
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (3R)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 8533086
ethyl (3R)-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-4-oxobutanoyl]piperidine-3-carboxylate
CID 92518145
1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908993
ethyl 3-[[2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetyl]amino]-5-fluoro-1H-indole-2-carboxylate
CID 2002434
ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 51288846
tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 60512696
ethyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-3-carboxylate
CID 51223560
ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 16554656
ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 46801115
ethyl 1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxylate
CID 4525369
ethyl 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 36800218
[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 42407622

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-3-carboxylate (CID 30887295) is ethyl (3R)-1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)C1.
What is the InChIKey of ethyl (3R)-1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is IFIDAYCJUGTIDK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25FN4O3/c1-3-28-20(27)15-5-4-10-24(12-15)13-19(26)22-18-11-14(2)23-25(18)17-8-6-16(21)7-9-17/h6-9,11,15H,3-5,10,12-13H2,1-2H3,(H,22,26)/t15-/m1/s1.
What are the key properties of ethyl (3R)-1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 388.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 30887295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).