tert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate

C15H28N2O4 — CID 176845406

IUPACtert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate
SMILESCC(=O)N1CCC(COCCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-12(18)17-8-5-13(6-9-17)11-20-10-7-16-14(19)21-15(2,3)4/h13H,5-11H2,1-4H3,(H,16,19)
InChIKeyZNNGYITXJILKFH-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.79
Rot. Bonds5

About tert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate

tert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate (PubChem CID 176845406) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate
PubChem CID176845406
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate
SMILESCC(=O)N1CCC(COCCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-12(18)17-8-5-13(6-9-17)11-20-10-7-16-14(19)21-15(2,3)4/h13H,5-11H2,1-4H3,(H,16,19)
InChIKeyZNNGYITXJILKFH-UHFFFAOYSA-N
XLogP1.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate 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-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179
tert-butyl N-[2-[[C-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]carbamate
CID 111745887
tert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate
CID 108864367
tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 94813303
1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 148686570
N-[2-(cyclopropylmethoxy)ethyl]-4-methylpiperidine-1-carboxamide
CID 113233568
tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate
CID 177056107
tert-butyl 4-(3,3,3-trifluoropropoxymethyl)piperidine-1-carboxylate
CID 118481409
tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
CID 157037033
tert-butyl 4-[[[N-[3-(cyclopropylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111393178
propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
CID 59158861

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate (CID 176845406) is tert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate is CC(=O)N1CCC(COCCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate?
The InChIKey is ZNNGYITXJILKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-12(18)17-8-5-13(6-9-17)11-20-10-7-16-14(19)21-15(2,3)4/h13H,5-11H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate?
tert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate has a molecular weight of 300.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1-acetylpiperidin-4-yl)methoxy]ethyl]carbamate is sourced from PubChem (CID 176845406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).