tert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate

C16H30N4O4 — CID 56826198

IUPACtert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate
SMILESCCN(CCNC(=O)N1CCC(C(N)=O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N4O4/c1-5-19(15(23)24-16(2,3)4)11-8-18-14(22)20-9-6-12(7-10-20)13(17)21/h12H,5-11H2,1-4H3,(H2,17,21)(H,18,22)
InChIKeySJEQGKYGJBQYGE-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.15
Rot. Bonds5

About tert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate

tert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate (PubChem CID 56826198) has the molecular formula C16H30N4O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate
PubChem CID56826198
Molecular FormulaC16H30N4O4
Molecular Weight342.44 g/mol
Exact Mass342.23
IUPAC Nametert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate
SMILESCCN(CCNC(=O)N1CCC(C(N)=O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N4O4/c1-5-19(15(23)24-16(2,3)4)11-8-18-14(22)20-9-6-12(7-10-20)13(17)21/h12H,5-11H2,1-4H3,(H2,17,21)(H,18,22)
InChIKeySJEQGKYGJBQYGE-UHFFFAOYSA-N
XLogP1.15
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-ethyl-N-[2-[[N-methyl-C-(4-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111211620
1-N-(2-aminoethyl)piperidine-1,4-dicarboxamide
CID 82508838
tert-butyl N-[2-(cyclopentylmethylcarbamoylamino)ethyl]-N-ethylcarbamate
CID 51135947
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-ethyl-N-[2-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]ethyl]carbamate
CID 110956280
tert-butyl N-[2-[[C-(3,3-dimethylpyrrolidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-N-ethylcarbamate;hydroiodide
CID 111737996
1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide
CID 47127704
tert-butyl N-ethyl-N-[2-[(N'-propylcarbamimidoyl)amino]ethyl]carbamate;hydroiodide
CID 111096872
ethyl 1-[N-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156890
tert-butyl N-[2-[(3-aminocyclobutyl)amino]ethyl]-N-ethylcarbamate
CID 107245345
tert-butyl N-ethyl-N-[2-[[N'-methyl-N-(1-propan-2-ylpiperidin-4-yl)carbamimidoyl]amino]ethyl]carbamate
CID 111318584
tert-butyl N-ethyl-N-[2-(piperidin-4-ylmethylamino)ethyl]carbamate
CID 107245368

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate (CID 56826198) is tert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate is CCN(CCNC(=O)N1CCC(C(N)=O)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate?
The InChIKey is SJEQGKYGJBQYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4/c1-5-19(15(23)24-16(2,3)4)11-8-18-14(22)20-9-6-12(7-10-20)13(17)21/h12H,5-11H2,1-4H3,(H2,17,21)(H,18,22).
What are the key properties of tert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate?
tert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate has a molecular weight of 342.44 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-carbamoylpiperidine-1-carbonyl)amino]ethyl]-N-ethylcarbamate is sourced from PubChem (CID 56826198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).