2-[4-(2-ethyl-1-piperidin-4-ylimidazole-4-carbonyl)piperazin-1-yl]acetic acid

C17H27N5O3 — CID 67644121

IUPAC2-[4-(2-ethyl-1-piperidin-4-ylimidazole-4-carbonyl)piperazin-1-yl]acetic acid
SMILESCCc1nc(C(=O)N2CCN(CC(=O)O)CC2)cn1C1CCNCC1
InChIInChI=1S/C17H27N5O3/c1-2-15-19-14(11-22(15)13-3-5-18-6-4-13)17(25)21-9-7-20(8-10-21)12-16(23)24/h11,13,18H,2-10,12H2,1H3,(H,23,24)
InChIKeyISLVMZIPEQHEMY-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.21
Rot. Bonds5

About 2-[4-(2-ethyl-1-piperidin-4-ylimidazole-4-carbonyl)piperazin-1-yl]acetic acid

2-[4-(2-ethyl-1-piperidin-4-ylimidazole-4-carbonyl)piperazin-1-yl]acetic acid (PubChem CID 67644121) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[4-(2-ethyl-1-piperidin-4-ylimidazole-4-carbonyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-ethyl-1-piperidin-4-ylimidazole-4-carbonyl)piperazin-1-yl]acetic acid
PubChem CID67644121
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name2-[4-(2-ethyl-1-piperidin-4-ylimidazole-4-carbonyl)piperazin-1-yl]acetic acid
SMILESCCc1nc(C(=O)N2CCN(CC(=O)O)CC2)cn1C1CCNCC1
InChIInChI=1S/C17H27N5O3/c1-2-15-19-14(11-22(15)13-3-5-18-6-4-13)17(25)21-9-7-20(8-10-21)12-16(23)24/h11,13,18H,2-10,12H2,1H3,(H,23,24)
InChIKeyISLVMZIPEQHEMY-UHFFFAOYSA-N
XLogP0.21
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-ethyl-1-piperidin-4-ylimidazole-4-carbonyl)piperazin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethyl-1-piperidin-4-ylimidazole-4-carbonyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-ethyl-1-piperidin-4-ylimidazole-4-carbonyl)piperazin-1-yl]acetic acid (CID 67644121) is 2-[4-(2-ethyl-1-piperidin-4-ylimidazole-4-carbonyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-ethyl-1-piperidin-4-ylimidazole-4-carbonyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-ethyl-1-piperidin-4-ylimidazole-4-carbonyl)piperazin-1-yl]acetic acid is CCc1nc(C(=O)N2CCN(CC(=O)O)CC2)cn1C1CCNCC1.
What is the InChIKey of 2-[4-(2-ethyl-1-piperidin-4-ylimidazole-4-carbonyl)piperazin-1-yl]acetic acid?
The InChIKey is ISLVMZIPEQHEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-2-15-19-14(11-22(15)13-3-5-18-6-4-13)17(25)21-9-7-20(8-10-21)12-16(23)24/h11,13,18H,2-10,12H2,1H3,(H,23,24).
What are the key properties of 2-[4-(2-ethyl-1-piperidin-4-ylimidazole-4-carbonyl)piperazin-1-yl]acetic acid?
2-[4-(2-ethyl-1-piperidin-4-ylimidazole-4-carbonyl)piperazin-1-yl]acetic acid has a molecular weight of 349.44 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethyl-1-piperidin-4-ylimidazole-4-carbonyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 67644121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).