2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride

C20H32Cl2N2O2 — CID 120890396

IUPAC2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride
SMILESCCC(CC)(C(=O)NCC1(COC)CCNCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H31ClN2O2.ClH/c1-4-20(5-2,16-6-8-17(21)9-7-16)18(24)23-14-19(15-25-3)10-12-22-13-11-19;/h6-9,22H,4-5,10-15H2,1-3H3,(H,23,24);1H
InChIKeyXCPQBEJEZXHMAX-UHFFFAOYSA-N
MW403.39 g/mol
LogP3.95
Rot. Bonds8

About 2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride

2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride (PubChem CID 120890396) has the molecular formula C20H32Cl2N2O2 and a molecular weight of 403.39 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride
PubChem CID120890396
Molecular FormulaC20H32Cl2N2O2
Molecular Weight403.39 g/mol
Exact Mass402.18
IUPAC Name2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride
SMILESCCC(CC)(C(=O)NCC1(COC)CCNCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C20H31ClN2O2.ClH/c1-4-20(5-2,16-6-8-17(21)9-7-16)18(24)23-14-19(15-25-3)10-12-22-13-11-19;/h6-9,22H,4-5,10-15H2,1-3H3,(H,23,24);1H
InChIKeyXCPQBEJEZXHMAX-UHFFFAOYSA-N
XLogP3.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;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-(4-ethylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylpropanamide
CID 120891055
3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120890837
2,2-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylacetamide
CID 120888865
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
3-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,2-dimethylpropanamide
CID 120888763
2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891160
4-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
CID 120890135
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-3-phenylbutanamide
CID 120888204
2-chloro-6-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891144

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride (CID 120890396) is 2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride is CCC(CC)(C(=O)NCC1(COC)CCNCC1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride?
The InChIKey is XCPQBEJEZXHMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O2.ClH/c1-4-20(5-2,16-6-8-17(21)9-7-16)18(24)23-14-19(15-25-3)10-12-22-13-11-19;/h6-9,22H,4-5,10-15H2,1-3H3,(H,23,24);1H.
What are the key properties of 2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride?
2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride has a molecular weight of 403.39 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 120890396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).