tert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-1-carboxylate

C19H28N2O3 — CID 141444126

IUPACtert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-1-carboxylate
SMILESCN(Cc1ccccc1)CC1CC(=O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H28N2O3/c1-19(2,3)24-18(23)21-11-10-17(22)12-16(21)14-20(4)13-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3
InChIKeyZHSPIGJMFYASPH-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.09
Rot. Bonds4

About tert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-1-carboxylate

tert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-1-carboxylate (PubChem CID 141444126) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-1-carboxylate
PubChem CID141444126
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-1-carboxylate
SMILESCN(Cc1ccccc1)CC1CC(=O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H28N2O3/c1-19(2,3)24-18(23)21-11-10-17(22)12-16(21)14-20(4)13-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3
InChIKeyZHSPIGJMFYASPH-UHFFFAOYSA-N
XLogP3.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-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 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate
CID 167717714
tert-butyl 2-benzyl-4-methyl-5-oxo-1,4-diazepane-1-carboxylate;ethane
CID 156749563
tert-butyl 4-oxo-2-prop-2-enylpiperidine-1-carboxylate
CID 18340820
tert-butyl 2-[2-cyano-2-(4-phenylphenyl)ethyl]-4-oxopiperidine-1-carboxylate
CID 162405045
tert-butyl 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]piperidine-1-carboxylate
CID 71647564
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate
CID 175955351
tert-butyl (2S)-2-[[methyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 168883355
tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 22001466
tert-butyl (2S)-2-[[(6-bromo-3-pyridinyl)methyl-methylamino]methyl]piperidine-1-carboxylate
CID 97167227
tert-butyl 2-[[(6-bromo-3-pyridinyl)methyl-methylamino]methyl]piperidine-1-carboxylate
CID 71647567

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-1-carboxylate (CID 141444126) is tert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-1-carboxylate is CN(Cc1ccccc1)CC1CC(=O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-1-carboxylate?
The InChIKey is ZHSPIGJMFYASPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(2,3)24-18(23)21-11-10-17(22)12-16(21)14-20(4)13-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3.
What are the key properties of tert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-1-carboxylate?
tert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[benzyl(methyl)amino]methyl]-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 141444126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).