N-(2,3-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide

C19H27N3O3 — CID 6466024

IUPACN-(2,3-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)c1C
InChIInChI=1S/C19H27N3O3/c1-14-5-3-6-16(15(14)2)20-18(23)13-21-8-10-22(11-9-21)19(24)17-7-4-12-25-17/h3,5-6,17H,4,7-13H2,1-2H3,(H,20,23)
InChIKeyXVCMDUMAPDGRMP-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.57
Rot. Bonds4

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

N-(2,3-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 6466024) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID6466024
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)c1C
InChIInChI=1S/C19H27N3O3/c1-14-5-3-6-16(15(14)2)20-18(23)13-21-8-10-22(11-9-21)19(24)17-7-4-12-25-17/h3,5-6,17H,4,7-13H2,1-2H3,(H,20,23)
InChIKeyXVCMDUMAPDGRMP-UHFFFAOYSA-N
XLogP1.57
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (CID 6466024) is N-(2,3-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is XVCMDUMAPDGRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-5-3-6-16(15(14)2)20-18(23)13-21-8-10-22(11-9-21)19(24)17-7-4-12-25-17/h3,5-6,17H,4,7-13H2,1-2H3,(H,20,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6466024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).