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

C19H27N3O3 — CID 6464827

IUPACN-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-14-10-15(2)12-16(11-14)20-18(23)13-21-5-7-22(8-6-21)19(24)17-4-3-9-25-17/h10-12,17H,3-9,13H2,1-2H3,(H,20,23)
InChIKeyQUXCJEUSNDSZEG-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.57
Rot. Bonds4

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

N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 6464827) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID6464827
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-14-10-15(2)12-16(11-14)20-18(23)13-21-5-7-22(8-6-21)19(24)17-4-3-9-25-17/h10-12,17H,3-9,13H2,1-2H3,(H,20,23)
InChIKeyQUXCJEUSNDSZEG-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

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

N-(4-bromophenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 6464785
N-(3-acetylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 22197270
ethyl 4-[[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetyl]amino]benzoate
CID 6467490
N-[4-(3-methylphenoxy)phenyl]-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 42897369
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
CID 95783517
N-(9-ethylcarbazol-3-yl)-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 27248278
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 22197278
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 166005001
N-(4-chloro-2-fluorophenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 40952888
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
CID 86911173
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide (CID 6464827) is N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is Cc1cc(C)cc(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is QUXCJEUSNDSZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-10-15(2)12-16(11-14)20-18(23)13-21-5-7-22(8-6-21)19(24)17-4-3-9-25-17/h10-12,17H,3-9,13H2,1-2H3,(H,20,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide?
N-(3,5-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-(3,5-dimethylphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6464827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).