N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride

C14H18Cl4N2O2 — CID 120577990

IUPACN-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
SMILESCC1NCCCC1NC(=O)COc1cc(Cl)c(Cl)cc1Cl.Cl
InChIInChI=1S/C14H17Cl3N2O2.ClH/c1-8-12(3-2-4-18-8)19-14(20)7-21-13-6-10(16)9(15)5-11(13)17;/h5-6,8,12,18H,2-4,7H2,1H3,(H,19,20);1H
InChIKeyMAOBTCPBASWNHY-UHFFFAOYSA-N
MW388.12 g/mol
LogP3.70
Rot. Bonds4

About N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride

N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride (PubChem CID 120577990) has the molecular formula C14H18Cl4N2O2 and a molecular weight of 388.12 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
PubChem CID120577990
Molecular FormulaC14H18Cl4N2O2
Molecular Weight388.12 g/mol
Exact Mass386.01
IUPAC NameN-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride
SMILESCC1NCCCC1NC(=O)COc1cc(Cl)c(Cl)cc1Cl.Cl
InChIInChI=1S/C14H17Cl3N2O2.ClH/c1-8-12(3-2-4-18-8)19-14(20)7-21-13-6-10(16)9(15)5-11(13)17;/h5-6,8,12,18H,2-4,7H2,1H3,(H,19,20);1H
InChIKeyMAOBTCPBASWNHY-UHFFFAOYSA-N
XLogP3.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.12
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;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-(2,5-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120577794
2-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120577365
2-(2-chlorophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575020
N-(2-hydroxycyclohexyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 62367000
N-(2-methylpiperidin-3-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride
CID 120577924
2-(4-bromophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575570
2-(4-methylphenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120576127
N-pyrrolidin-3-yl-2-(2,4,5-trichlorophenoxy)acetamide
CID 119453282
N-(2-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602527
2-(2-amino-2-oxoethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120577789
N-(2-methylpiperidin-3-yl)-2-prop-2-enoxyacetamide;hydrochloride
CID 120575305
N-(2-methylpiperidin-3-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120573443

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride (CID 120577990) is N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride is CC1NCCCC1NC(=O)COc1cc(Cl)c(Cl)cc1Cl.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride?
The InChIKey is MAOBTCPBASWNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3N2O2.ClH/c1-8-12(3-2-4-18-8)19-14(20)7-21-13-6-10(16)9(15)5-11(13)17;/h5-6,8,12,18H,2-4,7H2,1H3,(H,19,20);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride has a molecular weight of 388.12 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-(2,4,5-trichlorophenoxy)acetamide;hydrochloride is sourced from PubChem (CID 120577990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).