N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

C22H26N4O6 — CID 26918816

IUPACN-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2C[C@H](NC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1OC
InChIInChI=1S/C22H26N4O6/c1-30-17-6-5-16(13-19(17)31-2)26-14-15(12-20(26)27)23-22(29)25-9-7-24(8-10-25)21(28)18-4-3-11-32-18/h3-6,11,13,15H,7-10,12,14H2,1-2H3,(H,23,29)/t15-/m1/s1
InChIKeyGSMXMEBBOIEZFG-OAHLLOKOSA-N
MW442.47 g/mol
LogP1.57
Rot. Bonds5

About N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (PubChem CID 26918816) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
PubChem CID26918816
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC NameN-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2C[C@H](NC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1OC
InChIInChI=1S/C22H26N4O6/c1-30-17-6-5-16(13-19(17)31-2)26-14-15(12-20(26)27)23-22(29)25-9-7-24(8-10-25)21(28)18-4-3-11-32-18/h3-6,11,13,15H,7-10,12,14H2,1-2H3,(H,23,29)/t15-/m1/s1
InChIKeyGSMXMEBBOIEZFG-OAHLLOKOSA-N
XLogP1.57
TPSA104.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide with MolForge

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Related Compounds

4-(furan-2-carbonyl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209116
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 7255751
4-(furan-2-carbonyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209011
4-(furan-2-carbonyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209010
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
CID 7244374
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide
CID 7244367
4-benzyl-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 30508803
4-benzyl-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 30508800
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7552386
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-ethylpiperazine-1-carboxamide
CID 16801455
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazin-4-ium-1-carboxamide
CID 7244371
1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide
CID 7216120

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide (CID 26918816) is N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is COc1ccc(N2C[C@H](NC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1OC.
What is the InChIKey of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is GSMXMEBBOIEZFG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N4O6/c1-30-17-6-5-16(13-19(17)31-2)26-14-15(12-20(26)27)23-22(29)25-9-7-24(8-10-25)21(28)18-4-3-11-32-18/h3-6,11,13,15H,7-10,12,14H2,1-2H3,(H,23,29)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide?
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 442.47 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 26918816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).