methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate

C11H21N3O3 — CID 81460877

IUPACmethyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate
SMILESCCC1CN(CC(=O)NC(=O)OC)CCC1N
InChIInChI=1S/C11H21N3O3/c1-3-8-6-14(5-4-9(8)12)7-10(15)13-11(16)17-2/h8-9H,3-7,12H2,1-2H3,(H,13,15,16)
InChIKeyXUCZOXHENIRFEI-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.07
Rot. Bonds3

About methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate

methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate (PubChem CID 81460877) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate
PubChem CID81460877
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Namemethyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate
SMILESCCC1CN(CC(=O)NC(=O)OC)CCC1N
InChIInChI=1S/C11H21N3O3/c1-3-8-6-14(5-4-9(8)12)7-10(15)13-11(16)17-2/h8-9H,3-7,12H2,1-2H3,(H,13,15,16)
InChIKeyXUCZOXHENIRFEI-UHFFFAOYSA-N
XLogP-0.07
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]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-(4-amino-3-ethylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 81460476
methyl 2-(4-amino-3-ethylpiperidin-1-yl)acetate
CID 81460463
methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 78925540
methyl 4-[[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]amino]butanoate
CID 81460156
2-(4-amino-3-ethylpiperidin-1-yl)-N-(3-methylbutylcarbamoyl)acetamide
CID 81451805
2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide
CID 81458998
methyl N-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]carbamate
CID 11940465
methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79046631
2-(4-amino-3-ethylpiperidin-1-yl)-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 81460905
2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
CID 81459153
2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 81458982
2-(4-amino-3-ethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 81459405

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate?
The IUPAC name of methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate (CID 81460877) is methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate.
What is the SMILES notation for methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate?
The canonical SMILES for methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate is CCC1CN(CC(=O)NC(=O)OC)CCC1N.
What is the InChIKey of methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate?
The InChIKey is XUCZOXHENIRFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-8-6-14(5-4-9(8)12)7-10(15)13-11(16)17-2/h8-9H,3-7,12H2,1-2H3,(H,13,15,16).
What are the key properties of methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate?
methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate has a molecular weight of 243.31 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate is sourced from PubChem (CID 81460877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).