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

C17H25Cl3N2O3 — CID 120888337

IUPAC2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
SMILESCOCC1(CNC(=O)C(C)Oc2ccc(Cl)cc2Cl)CCNCC1.Cl
InChIInChI=1S/C17H24Cl2N2O3.ClH/c1-12(24-15-4-3-13(18)9-14(15)19)16(22)21-10-17(11-23-2)5-7-20-8-6-17;/h3-4,9,12,20H,5-8,10-11H2,1-2H3,(H,21,22);1H
InChIKeyPSSXMHIOOPCXHM-UHFFFAOYSA-N
MW411.76 g/mol
LogP3.31
Rot. Bonds7

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

2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride (PubChem CID 120888337) has the molecular formula C17H25Cl3N2O3 and a molecular weight of 411.76 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
PubChem CID120888337
Molecular FormulaC17H25Cl3N2O3
Molecular Weight411.76 g/mol
Exact Mass410.09
IUPAC Name2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
SMILESCOCC1(CNC(=O)C(C)Oc2ccc(Cl)cc2Cl)CCNCC1.Cl
InChIInChI=1S/C17H24Cl2N2O3.ClH/c1-12(24-15-4-3-13(18)9-14(15)19)16(22)21-10-17(11-23-2)5-7-20-8-6-17;/h3-4,9,12,20H,5-8,10-11H2,1-2H3,(H,21,22);1H
InChIKeyPSSXMHIOOPCXHM-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

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Related Compounds

2-(2,3-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120890520
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
2-(2-benzylphenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891722
(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 7046351
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylmethoxypropanamide
CID 120890807
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
5-chloro-2-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120889744
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120890902
3-(2-chloro-4-fluorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120892148
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
CID 41387582
4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-nitrobenzamide;hydrochloride
CID 120887351

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride (CID 120888337) is 2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride is COCC1(CNC(=O)C(C)Oc2ccc(Cl)cc2Cl)CCNCC1.Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
The InChIKey is PSSXMHIOOPCXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O3.ClH/c1-12(24-15-4-3-13(18)9-14(15)19)16(22)21-10-17(11-23-2)5-7-20-8-6-17;/h3-4,9,12,20H,5-8,10-11H2,1-2H3,(H,21,22);1H.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride?
2-(2,4-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-(2,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120888337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).