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

C17H25Cl3N2O3 — CID 120891749

IUPAC3-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
SMILESCOCC1(CNC(=O)CCOc2cccc(Cl)c2Cl)CCNCC1.Cl
InChIInChI=1S/C17H24Cl2N2O3.ClH/c1-23-12-17(6-8-20-9-7-17)11-21-15(22)5-10-24-14-4-2-3-13(18)16(14)19;/h2-4,20H,5-12H2,1H3,(H,21,22);1H
InChIKeyDKCMZEKFPRSQHZ-UHFFFAOYSA-N
MW411.76 g/mol
LogP3.32
Rot. Bonds8

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

3-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride (PubChem CID 120891749) has the molecular formula C17H25Cl3N2O3 and a molecular weight of 411.76 g/mol. Its IUPAC name is 3-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
PubChem CID120891749
Molecular FormulaC17H25Cl3N2O3
Molecular Weight411.76 g/mol
Exact Mass410.09
IUPAC Name3-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
SMILESCOCC1(CNC(=O)CCOc2cccc(Cl)c2Cl)CCNCC1.Cl
InChIInChI=1S/C17H24Cl2N2O3.ClH/c1-23-12-17(6-8-20-9-7-17)11-21-15(22)5-10-24-14-4-2-3-13(18)16(14)19;/h2-4,20H,5-12H2,1H3,(H,21,22);1H
InChIKeyDKCMZEKFPRSQHZ-UHFFFAOYSA-N
XLogP3.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.76
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120892148
2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120890520
3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890837
2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891144
3-(2,4-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120888493
3-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120888133
2-(2,6-dimethylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120889634
4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
CID 120890290
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypropanamide;hydrochloride
CID 120891438
2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891160
2-(3-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120888896

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride (CID 120891749) is 3-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride is COCC1(CNC(=O)CCOc2cccc(Cl)c2Cl)CCNCC1.Cl.
What is the InChIKey of 3-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
The InChIKey is DKCMZEKFPRSQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O3.ClH/c1-23-12-17(6-8-20-9-7-17)11-21-15(22)5-10-24-14-4-2-3-13(18)16(14)19;/h2-4,20H,5-12H2,1H3,(H,21,22);1H.
What are the key properties of 3-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
3-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride has a molecular weight of 411.76 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120891749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).