4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide

C22H26N4O4 — CID 86879794

IUPAC4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCCC4=O)cc3)CC2)o1
InChIInChI=1S/C22H26N4O4/c1-16-4-9-19(30-16)21(28)24-11-13-25(14-12-24)22(29)23-15-17-5-7-18(8-6-17)26-10-2-3-20(26)27/h4-9H,2-3,10-15H2,1H3,(H,23,29)
InChIKeyKMHCUPWQLZAVRX-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.38
Rot. Bonds4

About 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide

4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide (PubChem CID 86879794) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
PubChem CID86879794
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCCC4=O)cc3)CC2)o1
InChIInChI=1S/C22H26N4O4/c1-16-4-9-19(30-16)21(28)24-11-13-25(14-12-24)22(29)23-15-17-5-7-18(8-6-17)26-10-2-3-20(26)27/h4-9H,2-3,10-15H2,1H3,(H,23,29)
InChIKeyKMHCUPWQLZAVRX-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 86879934
4-(5-methylfuran-2-carbonyl)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]piperazine-1-carboxamide
CID 86879967
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 30691790
4-(2-ethoxyphenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 30691880
4-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 166181138
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 134034707
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
CID 119749212
4-(5-methylfuran-2-carbonyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperazine-1-carboxamide
CID 86879884

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide (CID 86879794) is 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide is Cc1ccc(C(=O)N2CCN(C(=O)NCc3ccc(N4CCCC4=O)cc3)CC2)o1.
What is the InChIKey of 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is KMHCUPWQLZAVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-16-4-9-19(30-16)21(28)24-11-13-25(14-12-24)22(29)23-15-17-5-7-18(8-6-17)26-10-2-3-20(26)27/h4-9H,2-3,10-15H2,1H3,(H,23,29).
What are the key properties of 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide?
4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-carbonyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 86879794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).