ethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate

C20H27N3O5 — CID 7543946

IUPACethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)C1
InChIInChI=1S/C20H27N3O5/c1-3-28-19(25)14-6-5-9-22(12-14)20(26)21-15-10-18(24)23(13-15)16-7-4-8-17(11-16)27-2/h4,7-8,11,14-15H,3,5-6,9-10,12-13H2,1-2H3,(H,21,26)/t14-,15-/m1/s1
InChIKeyDGSJNFDMWCQPRJ-HUUCEWRRSA-N
MW389.45 g/mol
LogP1.79
Rot. Bonds5

About ethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate

ethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate (PubChem CID 7543946) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is ethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate
PubChem CID7543946
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Nameethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)C1
InChIInChI=1S/C20H27N3O5/c1-3-28-19(25)14-6-5-9-22(12-14)20(26)21-15-10-18(24)23(13-15)16-7-4-8-17(11-16)27-2/h4,7-8,11,14-15H,3,5-6,9-10,12-13H2,1-2H3,(H,21,26)/t14-,15-/m1/s1
InChIKeyDGSJNFDMWCQPRJ-HUUCEWRRSA-N
XLogP1.79
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-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
ethyl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperazine-1-carboxylate
CID 7544007
ethyl (3S)-1-[[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate
CID 7552106
ethyl 1-[[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7546865
4-hydroxy-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 18564205
4-acetyl-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7215239
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
CID 7215126
ethyl 2-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]amino]-2-oxoacetate
CID 7548348
[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969807
ethyl 1-[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 6459232
ethyl (3S)-1-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 93017526
ethyl 1-[[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7542981

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate (CID 7543946) is ethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)C1.
What is the InChIKey of ethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate?
The InChIKey is DGSJNFDMWCQPRJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-3-28-19(25)14-6-5-9-22(12-14)20(26)21-15-10-18(24)23(13-15)16-7-4-8-17(11-16)27-2/h4,7-8,11,14-15H,3,5-6,9-10,12-13H2,1-2H3,(H,21,26)/t14-,15-/m1/s1.
What are the key properties of ethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate?
ethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 7543946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).