ethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate

C19H24FN3O4 — CID 7546865

IUPACethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)CC1
InChIInChI=1S/C19H24FN3O4/c1-2-27-18(25)13-6-8-22(9-7-13)19(26)21-15-11-17(24)23(12-15)16-5-3-4-14(20)10-16/h3-5,10,13,15H,2,6-9,11-12H2,1H3,(H,21,26)/t15-/m0/s1
InChIKeyLZPTVMYSTJDBOF-HNNXBMFYSA-N
MW377.42 g/mol
LogP1.92
Rot. Bonds4

About ethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate

ethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate (PubChem CID 7546865) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is ethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
PubChem CID7546865
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Nameethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)CC1
InChIInChI=1S/C19H24FN3O4/c1-2-27-18(25)13-6-8-22(9-7-13)19(26)21-15-11-17(24)23(12-15)16-5-3-4-14(20)10-16/h3-5,10,13,15H,2,6-9,11-12H2,1H3,(H,21,26)/t15-/m0/s1
InChIKeyLZPTVMYSTJDBOF-HNNXBMFYSA-N
XLogP1.92
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 43970125
ethyl 4-[[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7546926
ethyl 1-[[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7542981
ethyl 1-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7542980
N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 7546804
ethyl (3S)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075742
ethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate
CID 7543946
(3S,5R)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 7546893
(2R)-2-ethyl-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7546843
ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7544007
ethyl 4-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7544005
ethyl (3S)-1-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 93017526

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate (CID 7546865) is ethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(c3cccc(F)c3)C2)CC1.
What is the InChIKey of ethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate?
The InChIKey is LZPTVMYSTJDBOF-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24FN3O4/c1-2-27-18(25)13-6-8-22(9-7-13)19(26)21-15-11-17(24)23(12-15)16-5-3-4-14(20)10-16/h3-5,10,13,15H,2,6-9,11-12H2,1H3,(H,21,26)/t15-/m0/s1.
What are the key properties of ethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate?
ethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate has a molecular weight of 377.42 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 7546865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).