methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate

C11H21N3O3 — CID 63250167

IUPACmethyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate
SMILESCNCC1CCCCN1CC(=O)NC(=O)OC
InChIInChI=1S/C11H21N3O3/c1-12-7-9-5-3-4-6-14(9)8-10(15)13-11(16)17-2/h9,12H,3-8H2,1-2H3,(H,13,15,16)
InChIKeyUWJIBMMLXAVLPG-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.06
Rot. Bonds4

About methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate

methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate (PubChem CID 63250167) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate
PubChem CID63250167
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Namemethyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate
SMILESCNCC1CCCCN1CC(=O)NC(=O)OC
InChIInChI=1S/C11H21N3O3/c1-12-7-9-5-3-4-6-14(9)8-10(15)13-11(16)17-2/h9,12H,3-8H2,1-2H3,(H,13,15,16)
InChIKeyUWJIBMMLXAVLPG-UHFFFAOYSA-N
XLogP-0.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[2-[2-(methylaminomethyl)piperidin-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-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63249944
2-(2-ethylpiperidin-1-yl)-N-methylacetamide
CID 130635124
1-[2-(methoxycarbonylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563347
2-[2-(methylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63250032
propan-2-yl 2-[2-(methylaminomethyl)piperidin-1-yl]acetate
CID 63249964
2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 63249850
methyl 2-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]acetate
CID 62028286
1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442143
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
N-methyl-1-[1-(2-methylidenebutyl)piperidin-2-yl]methanamine
CID 66044070
N-cyclopropyl-N-ethyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250442
methyl N-[2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetyl]carbamate
CID 55167806

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate?
The IUPAC name of methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate (CID 63250167) is methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate?
The canonical SMILES for methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate is CNCC1CCCCN1CC(=O)NC(=O)OC.
What is the InChIKey of methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate?
The InChIKey is UWJIBMMLXAVLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-12-7-9-5-3-4-6-14(9)8-10(15)13-11(16)17-2/h9,12H,3-8H2,1-2H3,(H,13,15,16).
What are the key properties of methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate?
methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate has a molecular weight of 243.31 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-(methylaminomethyl)piperidin-1-yl]acetyl]carbamate is sourced from PubChem (CID 63250167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).