2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride

C17H25Cl3N2O3 — CID 120890520

IUPAC2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
SMILESCOCC1(CNC(=O)C(C)Oc2cccc(Cl)c2Cl)CCNCC1.Cl
InChIInChI=1S/C17H24Cl2N2O3.ClH/c1-12(24-14-5-3-4-13(18)15(14)19)16(22)21-10-17(11-23-2)6-8-20-9-7-17;/h3-5,12,20H,6-11H2,1-2H3,(H,21,22);1H
InChIKeyINUWITAMGUOHES-UHFFFAOYSA-N
MW411.76 g/mol
LogP3.31
Rot. Bonds7

About 2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride

2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride (PubChem CID 120890520) has the molecular formula C17H25Cl3N2O3 and a molecular weight of 411.76 g/mol. Its IUPAC name is 2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
PubChem CID120890520
Molecular FormulaC17H25Cl3N2O3
Molecular Weight411.76 g/mol
Exact Mass410.09
IUPAC Name2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
SMILESCOCC1(CNC(=O)C(C)Oc2cccc(Cl)c2Cl)CCNCC1.Cl
InChIInChI=1S/C17H24Cl2N2O3.ClH/c1-12(24-14-5-3-4-13(18)15(14)19)16(22)21-10-17(11-23-2)6-8-20-9-7-17;/h3-5,12,20H,6-11H2,1-2H3,(H,21,22);1H
InChIKeyINUWITAMGUOHES-UHFFFAOYSA-N
XLogP3.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.76
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride 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-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120888337
2-(3,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120890512
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 120890400
3-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120891749
2-(2-benzylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891722
2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891144
2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 120889665
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylmethoxypropanamide
CID 120890807
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
2-(5-chlorothiophen-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120889060
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypyridine-2-carboxamide;dihydrochloride
CID 120888008
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide
CID 120887701

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride (CID 120890520) is 2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride is COCC1(CNC(=O)C(C)Oc2cccc(Cl)c2Cl)CCNCC1.Cl.
What is the InChIKey of 2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
The InChIKey is INUWITAMGUOHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O3.ClH/c1-12(24-14-5-3-4-13(18)15(14)19)16(22)21-10-17(11-23-2)6-8-20-9-7-17;/h3-5,12,20H,6-11H2,1-2H3,(H,21,22);1H.
What are the key properties of 2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride has a molecular weight of 411.76 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120890520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).