benzyl 4-acetamido-2,2,6,6-tetramethylpiperidine-4-carboxylate

C19H28N2O3 — CID 22766588

IUPACbenzyl 4-acetamido-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC(=O)NC1(C(=O)OCc2ccccc2)CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H28N2O3/c1-14(22)20-19(12-17(2,3)21-18(4,5)13-19)16(23)24-11-15-9-7-6-8-10-15/h6-10,21H,11-13H2,1-5H3,(H,20,22)
InChIKeyRXKGRMHUVMHHJJ-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.55
Rot. Bonds4

About benzyl 4-acetamido-2,2,6,6-tetramethylpiperidine-4-carboxylate

benzyl 4-acetamido-2,2,6,6-tetramethylpiperidine-4-carboxylate (PubChem CID 22766588) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is benzyl 4-acetamido-2,2,6,6-tetramethylpiperidine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 4-acetamido-2,2,6,6-tetramethylpiperidine-4-carboxylate
PubChem CID22766588
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namebenzyl 4-acetamido-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCC(=O)NC1(C(=O)OCc2ccccc2)CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H28N2O3/c1-14(22)20-19(12-17(2,3)21-18(4,5)13-19)16(23)24-11-15-9-7-6-8-10-15/h6-10,21H,11-13H2,1-5H3,(H,20,22)
InChIKeyRXKGRMHUVMHHJJ-UHFFFAOYSA-N
XLogP2.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl 4-acetamido-2,2,6,6-tetramethylpiperidine-4-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

(4-chlorophenyl)methyl 4-benzamido-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 22766477
1-O-benzyl 4-O-methyl 4-acetamido-2,2,6,6-tetramethylpiperidine-1,4-dicarboxylate
CID 22766559
methyl 4-(benzylcarbamoylamino)-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 22766434
benzyl 5-acetamido-1,5-dimethylcycloundecane-1-carboxylate
CID 167189234
benzyl N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamate;hydrochloride
CID 153383254
benzyl 1-[(4-methyl-1H-pyrrole-3-carbonyl)amino]cyclobutane-1-carboxylate
CID 122152422
benzyl 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylate
CID 171991539
dibenzyl (1R,4R)-3,6-dioxo-2,5-diazabicyclo[2.2.2]octane-1,4-dicarboxylate
CID 101205282
benzyl (4S)-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
CID 67255511
2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid
CID 70338287
benzyl 3-cyano-1,3-dimethylcyclobutane-1-carboxylate
CID 146204157
benzyl acetate
CID 8785

Frequently Asked Questions

What is the IUPAC name of benzyl 4-acetamido-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The IUPAC name of benzyl 4-acetamido-2,2,6,6-tetramethylpiperidine-4-carboxylate (CID 22766588) is benzyl 4-acetamido-2,2,6,6-tetramethylpiperidine-4-carboxylate.
What is the SMILES notation for benzyl 4-acetamido-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The canonical SMILES for benzyl 4-acetamido-2,2,6,6-tetramethylpiperidine-4-carboxylate is CC(=O)NC1(C(=O)OCc2ccccc2)CC(C)(C)NC(C)(C)C1.
What is the InChIKey of benzyl 4-acetamido-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The InChIKey is RXKGRMHUVMHHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(22)20-19(12-17(2,3)21-18(4,5)13-19)16(23)24-11-15-9-7-6-8-10-15/h6-10,21H,11-13H2,1-5H3,(H,20,22).
What are the key properties of benzyl 4-acetamido-2,2,6,6-tetramethylpiperidine-4-carboxylate?
benzyl 4-acetamido-2,2,6,6-tetramethylpiperidine-4-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-acetamido-2,2,6,6-tetramethylpiperidine-4-carboxylate is sourced from PubChem (CID 22766588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).