2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide

C17H26ClN3O3 — CID 119122825

IUPAC2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide
SMILESCOc1cc(CNCC2CCN(C)CC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C17H26ClN3O3/c1-21-5-3-12(4-6-21)9-20-10-13-7-14(18)17(15(8-13)23-2)24-11-16(19)22/h7-8,12,20H,3-6,9-11H2,1-2H3,(H2,19,22)
InChIKeyYXDYEVULFHFYLC-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.64
Rot. Bonds8

About 2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide

2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide (PubChem CID 119122825) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide
PubChem CID119122825
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide
SMILESCOc1cc(CNCC2CCN(C)CC2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C17H26ClN3O3/c1-21-5-3-12(4-6-21)9-20-10-13-7-14(18)17(15(8-13)23-2)24-11-16(19)22/h7-8,12,20H,3-6,9-11H2,1-2H3,(H2,19,22)
InChIKeyYXDYEVULFHFYLC-UHFFFAOYSA-N
XLogP1.64
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide 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-chloro-4-[(cyclobutylmethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 43298481
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
2-[2-chloro-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]-6-methoxyphenoxy]acetamide
CID 120962121
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
2-[2-chloro-6-methoxy-4-[[(1-methylcyclopropyl)methylamino]methyl]phenoxy]acetamide
CID 103724240
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
2-[4-[(but-2-ynylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 115866328
2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
CID 119163902
2-[2-chloro-6-methoxy-4-[(2-methoxypropylamino)methyl]phenoxy]acetamide
CID 102696899
2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
CID 28548296
2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 4716345

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide (CID 119122825) is 2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide is COc1cc(CNCC2CCN(C)CC2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide?
The InChIKey is YXDYEVULFHFYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3/c1-21-5-3-12(4-6-21)9-20-10-13-7-14(18)17(15(8-13)23-2)24-11-16(19)22/h7-8,12,20H,3-6,9-11H2,1-2H3,(H2,19,22).
What are the key properties of 2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide?
2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide has a molecular weight of 355.87 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 119122825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).