benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate

C23H28N2O4 — CID 108564276

IUPACbenzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H28N2O4/c1-17-8-9-21(18(2)14-17)28-16-22(26)25-12-10-20(11-13-25)24-23(27)29-15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,27)
InChIKeyXDTXZCMYELMAPP-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.60
Rot. Bonds6

About benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate

benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate (PubChem CID 108564276) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate
PubChem CID108564276
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Namebenzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate
SMILESCc1ccc(OCC(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H28N2O4/c1-17-8-9-21(18(2)14-17)28-16-22(26)25-12-10-20(11-13-25)24-23(27)29-15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,27)
InChIKeyXDTXZCMYELMAPP-UHFFFAOYSA-N
XLogP3.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]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

2-(2,4-dimethylphenoxy)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108551090
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549766
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556366
2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108564260
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-(2-methylphenoxy)butanamide
CID 108553731
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-oxopentanamide
CID 108558029
2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551105
1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenoxy)ethanone;hydrochloride
CID 119375533
2-(2,4-dimethylphenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60956652
N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836638
benzyl N-[1-(2-chloroacetyl)azepan-4-yl]carbamate
CID 156713841
4-(dimethylamino)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108557918

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate?
The IUPAC name of benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate (CID 108564276) is benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate is Cc1ccc(OCC(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)c(C)c1.
What is the InChIKey of benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate?
The InChIKey is XDTXZCMYELMAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-17-8-9-21(18(2)14-17)28-16-22(26)25-12-10-20(11-13-25)24-23(27)29-15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,27).
What are the key properties of benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate?
benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate has a molecular weight of 396.49 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 108564276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).