methyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate

C13H26N2O2 — CID 157028689

IUPACmethyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate
SMILESCOC(=O)N(C)C1CCN(CCC(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)5-8-15-9-6-12(7-10-15)14(3)13(16)17-4/h11-12H,5-10H2,1-4H3
InChIKeyWVISHTDUYPHHKH-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.20
Rot. Bonds4

About methyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate

methyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate (PubChem CID 157028689) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate
PubChem CID157028689
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate
SMILESCOC(=O)N(C)C1CCN(CCC(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-11(2)5-8-15-9-6-12(7-10-15)14(3)13(16)17-4/h11-12H,5-10H2,1-4H3
InChIKeyWVISHTDUYPHHKH-UHFFFAOYSA-N
XLogP2.20
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl N-methyl-N-[1-(3-methylbutyl)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

N,N-dimethyl-1-(3-methylbutyl)piperidine-4-carboxamide
CID 175620267
N,4-dimethyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide
CID 143233555
3-[methyl-[1-(3-methylbutyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004327
N-ethyl-N-methyl-1-(3-methylbutyl)piperidin-4-amine
CID 155404879
2-methoxy-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 112686300
tert-butyl N-[1-(5,5-dimethoxypentyl)piperidin-4-yl]-N-methylcarbamate
CID 131721052
N-[(3S,4S)-3-fluoro-1-(3-methylbutyl)piperidin-4-yl]-N,2-dimethylpropanamide
CID 170184761
methyl (3R,4S)-4-hydroxy-1-(3-methylbutyl)piperidine-3-carboxylate
CID 129493249
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416
methyl 1-(4-methylpentyl)piperidine-4-carboxylate
CID 83161732
2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 119898912
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate?
The IUPAC name of methyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate (CID 157028689) is methyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate is COC(=O)N(C)C1CCN(CCC(C)C)CC1.
What is the InChIKey of methyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate?
The InChIKey is WVISHTDUYPHHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)5-8-15-9-6-12(7-10-15)14(3)13(16)17-4/h11-12H,5-10H2,1-4H3.
What are the key properties of methyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate?
methyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 157028689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).