ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate

C19H26N4O5 — CID 7544007

IUPACethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1
InChIInChI=1S/C19H26N4O5/c1-3-28-19(26)22-9-7-21(8-10-22)18(25)20-14-11-17(24)23(13-14)15-5-4-6-16(12-15)27-2/h4-6,12,14H,3,7-11,13H2,1-2H3,(H,20,25)/t14-/m0/s1
InChIKeyQWKJSOBRKRQQOO-AWEZNQCLSA-N
MW390.44 g/mol
LogP1.28
Rot. Bonds4

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

ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate (PubChem CID 7544007) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
PubChem CID7544007
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Nameethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1
InChIInChI=1S/C19H26N4O5/c1-3-28-19(26)22-9-7-21(8-10-22)18(25)20-14-11-17(24)23(13-14)15-5-4-6-16(12-15)27-2/h4-6,12,14H,3,7-11,13H2,1-2H3,(H,20,25)/t14-/m0/s1
InChIKeyQWKJSOBRKRQQOO-AWEZNQCLSA-N
XLogP1.28
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7544005
4-acetyl-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7215239
ethyl 4-[[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7546926
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
CID 7215126
ethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate
CID 7543946
4-hydroxy-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 18564205
ethyl 2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoacetate
CID 7548348
ethyl 4-[[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7513689
4-(4-acetylphenyl)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 41106577
4-(2-fluorophenyl)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7162495
ethyl 4-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7547862
N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]butanamide
CID 43970913

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate (CID 7544007) is ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)CC1.
What is the InChIKey of ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate?
The InChIKey is QWKJSOBRKRQQOO-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-3-28-19(26)22-9-7-21(8-10-22)18(25)20-14-11-17(24)23(13-14)15-5-4-6-16(12-15)27-2/h4-6,12,14H,3,7-11,13H2,1-2H3,(H,20,25)/t14-/m0/s1.
What are the key properties of ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate?
ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 7544007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).