N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide

C18H24N4O5 — CID 75464077

IUPACN-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)NCCN3C(=O)CCC3=O)CC2)o1
InChIInChI=1S/C18H24N4O5/c1-12-2-3-14(27-12)17(25)20-13-6-9-21(10-7-13)18(26)19-8-11-22-15(23)4-5-16(22)24/h2-3,13H,4-11H2,1H3,(H,19,26)(H,20,25)
InChIKeyTTWZACQNLPCDCY-UHFFFAOYSA-N
MW376.41 g/mol
LogP0.64
Rot. Bonds5

About N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide

N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide (PubChem CID 75464077) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide
PubChem CID75464077
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC NameN-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(C(=O)NCCN3C(=O)CCC3=O)CC2)o1
InChIInChI=1S/C18H24N4O5/c1-12-2-3-14(27-12)17(25)20-13-6-9-21(10-7-13)18(26)19-8-11-22-15(23)4-5-16(22)24/h2-3,13H,4-11H2,1H3,(H,19,26)(H,20,25)
InChIKeyTTWZACQNLPCDCY-UHFFFAOYSA-N
XLogP0.64
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[[(2S)-1,4-dimethylpiperazin-2-yl]methyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide
CID 97315817
5-methyl-N-(1-methylsulfonylpiperidin-4-yl)furan-2-carboxamide
CID 47157349
N-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49411897
N-[1-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447524
N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447371
5-methyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]furan-2-carboxamide
CID 94115510
5-methyl-N-[1-(2-nitrobenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 49358828
N-[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49447098
5-methyl-N-[1-(3-pyrrol-1-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 49358563
5-methyl-N-[1-[2-(N-methylanilino)-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447477
N-[1-(2,6-dimethylquinoline-3-carbonyl)piperidin-4-yl]-5-methylfuran-2-carboxamide
CID 49358466
5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447313

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide (CID 75464077) is N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide is Cc1ccc(C(=O)NC2CCN(C(=O)NCCN3C(=O)CCC3=O)CC2)o1.
What is the InChIKey of N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide?
The InChIKey is TTWZACQNLPCDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-12-2-3-14(27-12)17(25)20-13-6-9-21(10-7-13)18(26)19-8-11-22-15(23)4-5-16(22)24/h2-3,13H,4-11H2,1H3,(H,19,26)(H,20,25).
What are the key properties of N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide?
N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-[(5-methylfuran-2-carbonyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 75464077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).