1-acetyl-4-propan-2-ylpiperazine-2-carboxylic acid

C10H18N2O3 — CID 58431081

IUPAC1-acetyl-4-propan-2-ylpiperazine-2-carboxylic acid
SMILESCC(=O)N1CCN(C(C)C)CC1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(2)11-4-5-12(8(3)13)9(6-11)10(14)15/h7,9H,4-6H2,1-3H3,(H,14,15)
InChIKeyASEOFYACVSBPCQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.01
Rot. Bonds2

About 1-acetyl-4-propan-2-ylpiperazine-2-carboxylic acid

1-acetyl-4-propan-2-ylpiperazine-2-carboxylic acid (PubChem CID 58431081) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-acetyl-4-propan-2-ylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-4-propan-2-ylpiperazine-2-carboxylic acid
PubChem CID58431081
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-acetyl-4-propan-2-ylpiperazine-2-carboxylic acid
SMILESCC(=O)N1CCN(C(C)C)CC1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(2)11-4-5-12(8(3)13)9(6-11)10(14)15/h7,9H,4-6H2,1-3H3,(H,14,15)
InChIKeyASEOFYACVSBPCQ-UHFFFAOYSA-N
XLogP0.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1,4-diacetylpiperazine-2-carboxylate
CID 7161619
alpha-Ethyl-4-methyl-2,3-dioxo-1-piperazineacetic acid
CID 20955814
3-(4-acetylpiperazin-1-yl)propanoic Acid
CID 2050699
1,4-Di-Boc-piperazine-2-carboxylic acid
CID 11255979
(2R)-1,4-bis((tert-butoxy)carbonyl)piperazine-2-carboxylic acid
CID 26339502
4-((Tert-butoxy)carbonyl)-1-methylpiperazine-2-carboxylic acid
CID 60081042
(2S)-1-((tert-butoxy)carbonyl)-4-methylpiperazine-2-carboxylic acid
CID 69844519
1-Methyl-5-oxopiperazine-2-carboxylic acid
CID 84107661
1-((Tert-butoxy)carbonyl)-4-methyl-5-oxopiperazine-2-carboxylic acid
CID 130003265
(4-Butanoylpiperazin-1-YL)acetic acid
CID 28705027
1,4-Di(trifluoroacetyl)piperazine-2-carboxylic acid
CID 129780271
(2R)-4-tert-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 24874149

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-propan-2-ylpiperazine-2-carboxylic acid?
The IUPAC name of 1-acetyl-4-propan-2-ylpiperazine-2-carboxylic acid (CID 58431081) is 1-acetyl-4-propan-2-ylpiperazine-2-carboxylic acid.
What is the SMILES notation for 1-acetyl-4-propan-2-ylpiperazine-2-carboxylic acid?
The canonical SMILES for 1-acetyl-4-propan-2-ylpiperazine-2-carboxylic acid is CC(=O)N1CCN(C(C)C)CC1C(=O)O.
What is the InChIKey of 1-acetyl-4-propan-2-ylpiperazine-2-carboxylic acid?
The InChIKey is ASEOFYACVSBPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)11-4-5-12(8(3)13)9(6-11)10(14)15/h7,9H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 1-acetyl-4-propan-2-ylpiperazine-2-carboxylic acid?
1-acetyl-4-propan-2-ylpiperazine-2-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-propan-2-ylpiperazine-2-carboxylic acid is sourced from PubChem (CID 58431081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).