4-acetyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide

C17H31N3O3 — CID 91425386

IUPAC4-acetyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide
SMILESCCC[C@@H](CCC(C)C)C(=O)NC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C17H31N3O3/c1-5-6-15(8-7-13(2)3)16(22)18-17(23)20-11-9-19(10-12-20)14(4)21/h13,15H,5-12H2,1-4H3,(H,18,22,23)/t15-/m0/s1
InChIKeyGNFGEQYONCZFLA-HNNXBMFYSA-N
MW325.45 g/mol
LogP2.24
Rot. Bonds6

About 4-acetyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide

4-acetyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide (PubChem CID 91425386) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-acetyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide
PubChem CID91425386
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name4-acetyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide
SMILESCCC[C@@H](CCC(C)C)C(=O)NC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C17H31N3O3/c1-5-6-15(8-7-13(2)3)16(22)18-17(23)20-11-9-19(10-12-20)14(4)21/h13,15H,5-12H2,1-4H3,(H,18,22,23)/t15-/m0/s1
InChIKeyGNFGEQYONCZFLA-HNNXBMFYSA-N
XLogP2.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide (CID 91425386) is 4-acetyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide is CCC[C@@H](CCC(C)C)C(=O)NC(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide?
The InChIKey is GNFGEQYONCZFLA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-5-6-15(8-7-13(2)3)16(22)18-17(23)20-11-9-19(10-12-20)14(4)21/h13,15H,5-12H2,1-4H3,(H,18,22,23)/t15-/m0/s1.
What are the key properties of 4-acetyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide?
4-acetyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide has a molecular weight of 325.45 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(2S)-5-methyl-2-propylhexanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 91425386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).