ethyl 4-[[2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate

C19H34N4O4 — CID 45178351

IUPACethyl 4-[[2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC2C(=O)NCCN2CCC(C)C)CC1
InChIInChI=1S/C19H34N4O4/c1-4-27-19(26)23-10-6-15(7-11-23)21-17(24)13-16-18(25)20-8-12-22(16)9-5-14(2)3/h14-16H,4-13H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyZJPRMKKBCACGCF-UHFFFAOYSA-N
MW382.51 g/mol
LogP0.96
Rot. Bonds7

About ethyl 4-[[2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate (PubChem CID 45178351) has the molecular formula C19H34N4O4 and a molecular weight of 382.51 g/mol. Its IUPAC name is ethyl 4-[[2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
PubChem CID45178351
Molecular FormulaC19H34N4O4
Molecular Weight382.51 g/mol
Exact Mass382.26
IUPAC Nameethyl 4-[[2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC2C(=O)NCCN2CCC(C)C)CC1
InChIInChI=1S/C19H34N4O4/c1-4-27-19(26)23-10-6-15(7-11-23)21-17(24)13-16-18(25)20-8-12-22(16)9-5-14(2)3/h14-16H,4-13H2,1-3H3,(H,20,25)(H,21,24)
InChIKeyZJPRMKKBCACGCF-UHFFFAOYSA-N
XLogP0.96
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-[1-(3-methylbutyl)-3-oxopiperazin-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-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate (CID 45178351) is ethyl 4-[[2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CC2C(=O)NCCN2CCC(C)C)CC1.
What is the InChIKey of ethyl 4-[[2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is ZJPRMKKBCACGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O4/c1-4-27-19(26)23-10-6-15(7-11-23)21-17(24)13-16-18(25)20-8-12-22(16)9-5-14(2)3/h14-16H,4-13H2,1-3H3,(H,20,25)(H,21,24).
What are the key properties of ethyl 4-[[2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 382.51 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 45178351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).