2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide

C17H25ClN2O4 — CID 97159418

IUPAC2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide
SMILESCOC[C@H]1CCCN(Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1
InChIInChI=1S/C17H25ClN2O4/c1-22-10-12-4-3-5-20(8-12)9-13-6-14(18)17(15(7-13)23-2)24-11-16(19)21/h6-7,12H,3-5,8-11H2,1-2H3,(H2,19,21)/t12-/m0/s1
InChIKeyWSWKOPTYOAWJRG-LBPRGKRZSA-N
MW356.85 g/mol
LogP2.07
Rot. Bonds8

About 2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide

2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide (PubChem CID 97159418) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide
PubChem CID97159418
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Name2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide
SMILESCOC[C@H]1CCCN(Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1
InChIInChI=1S/C17H25ClN2O4/c1-22-10-12-4-3-5-20(8-12)9-13-6-14(18)17(15(7-13)23-2)24-11-16(19)21/h6-7,12H,3-5,8-11H2,1-2H3,(H2,19,21)/t12-/m0/s1
InChIKeyWSWKOPTYOAWJRG-LBPRGKRZSA-N
XLogP2.07
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-aminoazetidin-1-yl)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 65244504
2-[4-[[(3R)-3-acetamidopyrrolidin-1-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 99955086
2-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-chloro-6-methoxyphenoxy]acetamide;hydrochloride
CID 120660894
2-[2-chloro-4-[(cyclobutylmethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 43298481
2-[2-chloro-6-methoxy-4-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenoxy]acetamide
CID 119122825
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-methylazanium chloride
CID 44665968
2-[2-chloro-6-methoxy-4-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenoxy]acetamide
CID 119163902
[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
CID 7248442
2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide
CID 77084796
3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106589648
2-chloro-6-methoxy-4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981276

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide (CID 97159418) is 2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide is COC[C@H]1CCCN(Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)C1.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
The InChIKey is WSWKOPTYOAWJRG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25ClN2O4/c1-22-10-12-4-3-5-20(8-12)9-13-6-14(18)17(15(7-13)23-2)24-11-16(19)21/h6-7,12H,3-5,8-11H2,1-2H3,(H2,19,21)/t12-/m0/s1.
What are the key properties of 2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide?
2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide has a molecular weight of 356.85 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 97159418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).