ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate

C12H22N2O3 — CID 55061328

IUPACethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(C)CC1C
InChIInChI=1S/C12H22N2O3/c1-4-17-11(15)8-13-12(16)14-6-5-9(2)7-10(14)3/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyZAKIWXVDDVNMQQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.38
Rot. Bonds3

About ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate

ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate (PubChem CID 55061328) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate
PubChem CID55061328
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCC(C)CC1C
InChIInChI=1S/C12H22N2O3/c1-4-17-11(15)8-13-12(16)14-6-5-9(2)7-10(14)3/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyZAKIWXVDDVNMQQ-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate 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

2,4-dimethyl-N-propylpiperidine-1-carboxamide
CID 115644943
ethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate
CID 102784479
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781899
1-[(4-ethoxy-4-oxobutyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744370
ethyl 2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonylamino)acetate
CID 43404889
1-[(2-ethoxy-2-oxoethyl)carbamoyl]azepane-2-carboxylic acid
CID 64563112
ethyl 2-[(3-methylcyclohexyl)carbamoylamino]acetate
CID 43445728
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone
CID 130690746
methyl 2,4-dimethylpiperidine-1-carboxylate
CID 115643665
methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate
CID 145048176
6-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 62331104
tert-butyl N-[4-(2,4-dimethylpiperidin-1-yl)-4-oxobutyl]carbamate
CID 62330169

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate (CID 55061328) is ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate is CCOC(=O)CNC(=O)N1CCC(C)CC1C.
What is the InChIKey of ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate?
The InChIKey is ZAKIWXVDDVNMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-17-11(15)8-13-12(16)14-6-5-9(2)7-10(14)3/h9-10H,4-8H2,1-3H3,(H,13,16).
What are the key properties of ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate?
ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate has a molecular weight of 242.32 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate is sourced from PubChem (CID 55061328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).