N-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide

C18H27N3O2 — CID 71913541

IUPACN-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCN(C3CCOC3)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-14-3-4-15(2)17(11-14)19-18(22)12-20-6-8-21(9-7-20)16-5-10-23-13-16/h3-4,11,16H,5-10,12-13H2,1-2H3,(H,19,22)
InChIKeyHTWXRAXVNYXEKS-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.65
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide

N-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide (PubChem CID 71913541) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide
PubChem CID71913541
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCN(C3CCOC3)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-14-3-4-15(2)17(11-14)19-18(22)12-20-6-8-21(9-7-20)16-5-10-23-13-16/h3-4,11,16H,5-10,12-13H2,1-2H3,(H,19,22)
InChIKeyHTWXRAXVNYXEKS-UHFFFAOYSA-N
XLogP1.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61439794
N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196969
2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 62068769
N-(3-iodophenyl)-2-[4-[(3R)-oxolan-3-yl]piperazin-1-yl]acetamide
CID 97011458
N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663123
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119926850
N-(2,5-dimethylphenyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 51291532
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 79868364
2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 8719515

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide (CID 71913541) is N-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide is Cc1ccc(C)c(NC(=O)CN2CCN(C3CCOC3)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide?
The InChIKey is HTWXRAXVNYXEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-3-4-15(2)17(11-14)19-18(22)12-20-6-8-21(9-7-20)16-5-10-23-13-16/h3-4,11,16H,5-10,12-13H2,1-2H3,(H,19,22).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 71913541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).