N-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide

C15H28N4O2 — CID 61175724

IUPACN-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)CNC(=O)CN1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C15H28N4O2/c1-12(2)10-17-14(20)11-19-7-3-4-13(19)15(21)18-8-5-16-6-9-18/h12-13,16H,3-11H2,1-2H3,(H,17,20)
InChIKeyHEIDNXCLKXSULG-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.35
Rot. Bonds5

About N-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide

N-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide (PubChem CID 61175724) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
PubChem CID61175724
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC NameN-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)CNC(=O)CN1CCCC1C(=O)N1CCNCC1
InChIInChI=1S/C15H28N4O2/c1-12(2)10-17-14(20)11-19-7-3-4-13(19)15(21)18-8-5-16-6-9-18/h12-13,16H,3-11H2,1-2H3,(H,17,20)
InChIKeyHEIDNXCLKXSULG-UHFFFAOYSA-N
XLogP-0.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide (CID 61175724) is N-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide is CC(C)CNC(=O)CN1CCCC1C(=O)N1CCNCC1.
What is the InChIKey of N-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide?
The InChIKey is HEIDNXCLKXSULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-12(2)10-17-14(20)11-19-7-3-4-13(19)15(21)18-8-5-16-6-9-18/h12-13,16H,3-11H2,1-2H3,(H,17,20).
What are the key properties of N-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide?
N-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide has a molecular weight of 296.41 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 61175724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).