[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate

C17H25N3O4 — CID 175264615

IUPAC[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
SMILESCOCC1(C(=O)Nc2ccc(OC(=O)N(C)C)cc2)CCNCC1
InChIInChI=1S/C17H25N3O4/c1-20(2)16(22)24-14-6-4-13(5-7-14)19-15(21)17(12-23-3)8-10-18-11-9-17/h4-7,18H,8-12H2,1-3H3,(H,19,21)
InChIKeyQLWOPIGGBCTXFK-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.70
Rot. Bonds5

About [4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate

[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate (PubChem CID 175264615) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is [4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
PubChem CID175264615
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
SMILESCOCC1(C(=O)Nc2ccc(OC(=O)N(C)C)cc2)CCNCC1
InChIInChI=1S/C17H25N3O4/c1-20(2)16(22)24-14-6-4-13(5-7-14)19-15(21)17(12-23-3)8-10-18-11-9-17/h4-7,18H,8-12H2,1-3H3,(H,19,21)
InChIKeyQLWOPIGGBCTXFK-UHFFFAOYSA-N
XLogP1.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate 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-[4-(dimethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617739
4-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide
CID 120626064
N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617171
4-(methoxymethyl)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120631273
N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624362
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120620858
N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120629418
N-[3-(dimethylcarbamoyl)-4-fluorophenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120635085
4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120617162
4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120623718
N-[4-(ethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621167

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate?
The IUPAC name of [4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate (CID 175264615) is [4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate?
The canonical SMILES for [4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate is COCC1(C(=O)Nc2ccc(OC(=O)N(C)C)cc2)CCNCC1.
What is the InChIKey of [4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate?
The InChIKey is QLWOPIGGBCTXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-20(2)16(22)24-14-6-4-13(5-7-14)19-15(21)17(12-23-3)8-10-18-11-9-17/h4-7,18H,8-12H2,1-3H3,(H,19,21).
What are the key properties of [4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate?
[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate has a molecular weight of 335.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate is sourced from PubChem (CID 175264615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).