N-[4-amino-1,4-dioxo-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide

C18H28N6O5 — CID 59716250

IUPACN-[4-amino-1,4-dioxo-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESNC(=O)CC(NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C18H28N6O5/c19-14(25)10-12(22-16(27)11-3-4-15(26)21-11)17(28)24-7-1-2-13(24)18(29)23-8-5-20-6-9-23/h11-13,20H,1-10H2,(H2,19,25)(H,21,26)(H,22,27)
InChIKeyGQVYWYBLFSBQQG-UHFFFAOYSA-N
MW408.46 g/mol
LogP-2.95
Rot. Bonds6

About N-[4-amino-1,4-dioxo-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide

N-[4-amino-1,4-dioxo-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 59716250) has the molecular formula C18H28N6O5 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[4-amino-1,4-dioxo-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-amino-1,4-dioxo-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID59716250
Molecular FormulaC18H28N6O5
Molecular Weight408.46 g/mol
Exact Mass408.21
IUPAC NameN-[4-amino-1,4-dioxo-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide
SMILESNC(=O)CC(NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C18H28N6O5/c19-14(25)10-12(22-16(27)11-3-4-15(26)21-11)17(28)24-7-1-2-13(24)18(29)23-8-5-20-6-9-23/h11-13,20H,1-10H2,(H2,19,25)(H,21,26)(H,22,27)
InChIKeyGQVYWYBLFSBQQG-UHFFFAOYSA-N
XLogP-2.95
TPSA153.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 5-2.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1,4-dioxo-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[4-amino-1,4-dioxo-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide (CID 59716250) is N-[4-amino-1,4-dioxo-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-amino-1,4-dioxo-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-amino-1,4-dioxo-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide is NC(=O)CC(NC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of N-[4-amino-1,4-dioxo-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GQVYWYBLFSBQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O5/c19-14(25)10-12(22-16(27)11-3-4-15(26)21-11)17(28)24-7-1-2-13(24)18(29)23-8-5-20-6-9-23/h11-13,20H,1-10H2,(H2,19,25)(H,21,26)(H,22,27).
What are the key properties of N-[4-amino-1,4-dioxo-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide?
N-[4-amino-1,4-dioxo-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 408.46 g/mol, XLogP of -2.95, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1,4-dioxo-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]butan-2-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 59716250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).