tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate

C16H30N2O3 — CID 103783719

IUPACtert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate
SMILESCOCC(NC1CCCN(C(=O)OC(C)(C)C)C1)C1CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-9-5-6-13(10-18)17-14(11-20-4)12-7-8-12/h12-14,17H,5-11H2,1-4H3
InChIKeyNGLGPYHIENERFX-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.40
Rot. Bonds5

About tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate

tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate (PubChem CID 103783719) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate
PubChem CID103783719
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate
SMILESCOCC(NC1CCCN(C(=O)OC(C)(C)C)C1)C1CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-9-5-6-13(10-18)17-14(11-20-4)12-7-8-12/h12-14,17H,5-11H2,1-4H3
InChIKeyNGLGPYHIENERFX-UHFFFAOYSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)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

Related Compounds

tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate
CID 103788187
tert-butyl 3-(1-cyclopropylethylamino)azepane-1-carboxylate
CID 103729707
tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
CID 53256453
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-[1-(2-methoxyethoxyamino)ethyl]piperidine-1-carboxylate
CID 82710558
tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate
CID 82944881
tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126
tert-butyl (3R)-3-[(1R)-3-hydroxy-1-(methylamino)propyl]piperidine-1-carboxylate
CID 97167731
tert-butyl 3-(methylsulfanylamino)piperidine-1-carboxylate
CID 142582835
tert-butyl 3-[1-(3-methoxypropylamino)ethyl]piperidine-1-carboxylate
CID 63585875
tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
CID 22357480
tert-butyl N-[2-cyclopropyl-2-[(1-methylpiperidin-3-yl)amino]ethyl]carbamate
CID 107251790

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate (CID 103783719) is tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate is COCC(NC1CCCN(C(=O)OC(C)(C)C)C1)C1CC1.
What is the InChIKey of tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate?
The InChIKey is NGLGPYHIENERFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(19)18-9-5-6-13(10-18)17-14(11-20-4)12-7-8-12/h12-14,17H,5-11H2,1-4H3.
What are the key properties of tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate?
tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 103783719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).