N-(2-aminoethyl)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide

C14H24N4O3 — CID 63252844

IUPACN-(2-aminoethyl)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(CCN2C(=O)CCC2=O)C1
InChIInChI=1S/C14H24N4O3/c15-5-6-16-14(21)11-2-1-7-17(10-11)8-9-18-12(19)3-4-13(18)20/h11H,1-10,15H2,(H,16,21)
InChIKeyRNNIHCVQRUZFBP-UHFFFAOYSA-N
MW296.37 g/mol
LogP-1.08
Rot. Bonds6

About N-(2-aminoethyl)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 63252844) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID63252844
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-(2-aminoethyl)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(CCN2C(=O)CCC2=O)C1
InChIInChI=1S/C14H24N4O3/c15-5-6-16-14(21)11-2-1-7-17(10-11)8-9-18-12(19)3-4-13(18)20/h11H,1-10,15H2,(H,16,21)
InChIKeyRNNIHCVQRUZFBP-UHFFFAOYSA-N
XLogP-1.08
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide (CID 63252844) is N-(2-aminoethyl)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(CCN2C(=O)CCC2=O)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is RNNIHCVQRUZFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c15-5-6-16-14(21)11-2-1-7-17(10-11)8-9-18-12(19)3-4-13(18)20/h11H,1-10,15H2,(H,16,21).
What are the key properties of N-(2-aminoethyl)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of -1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 63252844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).