N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide

C21H33N3O3 — CID 110622301

IUPACN-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide
SMILESCOc1ccc(C(CNC(=O)CC2CCCCO2)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H33N3O3/c1-23-10-12-24(13-11-23)20(17-6-8-18(26-2)9-7-17)16-22-21(25)15-19-5-3-4-14-27-19/h6-9,19-20H,3-5,10-16H2,1-2H3,(H,22,25)
InChIKeyVNNMVGWWSTVAJP-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.06
Rot. Bonds7

About N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide

N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide (PubChem CID 110622301) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide
PubChem CID110622301
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide
SMILESCOc1ccc(C(CNC(=O)CC2CCCCO2)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H33N3O3/c1-23-10-12-24(13-11-23)20(17-6-8-18(26-2)9-7-17)16-22-21(25)15-19-5-3-4-14-27-19/h6-9,19-20H,3-5,10-16H2,1-2H3,(H,22,25)
InChIKeyVNNMVGWWSTVAJP-UHFFFAOYSA-N
XLogP2.06
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide
CID 110621142
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-phenoxyacetamide
CID 30630276
2-(4-chlorophenoxy)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 30630284
N'-(4-methoxyphenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 8670123
N-(2-hydroxyethyl)-N'-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 43990661
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 30630679
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30631305
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111136985
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide;dihydrochloride
CID 119829777

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide (CID 110622301) is N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide is COc1ccc(C(CNC(=O)CC2CCCCO2)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide?
The InChIKey is VNNMVGWWSTVAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-23-10-12-24(13-11-23)20(17-6-8-18(26-2)9-7-17)16-22-21(25)15-19-5-3-4-14-27-19/h6-9,19-20H,3-5,10-16H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide?
N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide has a molecular weight of 375.51 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 110622301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).