ethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate

C17H30N4O4 — CID 45206072

IUPACethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC2C(=O)NCCN2C(C)C)CC1
InChIInChI=1S/C17H30N4O4/c1-4-25-17(24)20-8-5-13(6-9-20)19-15(22)11-14-16(23)18-7-10-21(14)12(2)3/h12-14H,4-11H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyYTCFDQYRGQVCHX-UHFFFAOYSA-N
MW354.45 g/mol
LogP0.32
Rot. Bonds5

About ethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 45206072) has the molecular formula C17H30N4O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is ethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID45206072
Molecular FormulaC17H30N4O4
Molecular Weight354.45 g/mol
Exact Mass354.23
IUPAC Nameethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC2C(=O)NCCN2C(C)C)CC1
InChIInChI=1S/C17H30N4O4/c1-4-25-17(24)20-8-5-13(6-9-20)19-15(22)11-14-16(23)18-7-10-21(14)12(2)3/h12-14H,4-11H2,1-3H3,(H,18,23)(H,19,22)
InChIKeyYTCFDQYRGQVCHX-UHFFFAOYSA-N
XLogP0.32
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate 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 ethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate (CID 45206072) is ethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CC2C(=O)NCCN2C(C)C)CC1.
What is the InChIKey of ethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is YTCFDQYRGQVCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O4/c1-4-25-17(24)20-8-5-13(6-9-20)19-15(22)11-14-16(23)18-7-10-21(14)12(2)3/h12-14H,4-11H2,1-3H3,(H,18,23)(H,19,22).
What are the key properties of ethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 45206072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).