4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide

C22H26N4O4 — CID 108875946

IUPAC4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
SMILESCC(c1ccccc1)N1CC(NC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O
InChIInChI=1S/C22H26N4O4/c1-16(17-6-3-2-4-7-17)26-15-18(14-20(26)27)23-22(29)25-11-9-24(10-12-25)21(28)19-8-5-13-30-19/h2-8,13,16,18H,9-12,14-15H2,1H3,(H,23,29)
InChIKeyFRAZKBCTKBJDBZ-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.11
Rot. Bonds4

About 4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide

4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide (PubChem CID 108875946) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
PubChem CID108875946
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
SMILESCC(c1ccccc1)N1CC(NC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O
InChIInChI=1S/C22H26N4O4/c1-16(17-6-3-2-4-7-17)26-15-18(14-20(26)27)23-22(29)25-11-9-24(10-12-25)21(28)19-8-5-13-30-19/h2-8,13,16,18H,9-12,14-15H2,1H3,(H,23,29)
InChIKeyFRAZKBCTKBJDBZ-UHFFFAOYSA-N
XLogP2.11
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide with MolForge

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Related Compounds

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
4-(furan-2-carbonyl)-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7209116
4-(2-methoxyphenyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide
CID 108875887
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 26918816
1-methyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]urea
CID 108875834
2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 108875809
1-benzyl-3-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]-1-phenylurea
CID 108875855
4-[[[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]carbamoylamino]methyl]benzoic acid
CID 108875798
N-(1,1-dioxothiolan-3-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 110706168
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-phenylethyl)propanamide
CID 46162177
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methyl-3-phenylpentan-1-one
CID 110316558

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide (CID 108875946) is 4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide is CC(c1ccccc1)N1CC(NC(=O)N2CCN(C(=O)c3ccco3)CC2)CC1=O.
What is the InChIKey of 4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide?
The InChIKey is FRAZKBCTKBJDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-16(17-6-3-2-4-7-17)26-15-18(14-20(26)27)23-22(29)25-11-9-24(10-12-25)21(28)19-8-5-13-30-19/h2-8,13,16,18H,9-12,14-15H2,1H3,(H,23,29).
What are the key properties of 4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide?
4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 108875946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).