N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide

C17H27N3O2 — CID 113105204

IUPACN-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCOCCCN1CCN(C(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C17H27N3O2/c1-14-6-4-7-16(15(14)2)18-17(21)20-11-9-19(10-12-20)8-5-13-22-3/h4,6-7H,5,8-13H2,1-3H3,(H,18,21)
InChIKeyLTTMFZVKHHOPPR-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.49
Rot. Bonds5

About N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide

N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide (PubChem CID 113105204) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
PubChem CID113105204
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCOCCCN1CCN(C(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C17H27N3O2/c1-14-6-4-7-16(15(14)2)18-17(21)20-11-9-19(10-12-20)8-5-13-22-3/h4,6-7H,5,8-13H2,1-3H3,(H,18,21)
InChIKeyLTTMFZVKHHOPPR-UHFFFAOYSA-N
XLogP2.49
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide 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-(2,6-dimethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104947
4-[3-(dimethylamino)-3-oxopropyl]-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 71917913
N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105247
N-(2,3-dimethylphenyl)-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336609
N-(2,5-dimethoxyphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105238
methyl 3-[[4-(3-methoxypropyl)piperazine-1-carbonyl]amino]benzoate
CID 113105249
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 17297980
4-(2-methoxyethyl)-N-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113104956
N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106397
N-(2,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110798
N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105254
methyl 4-(3-methoxypropyl)piperazine-1-carboxylate
CID 113073390

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide (CID 113105204) is N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide is COCCCN1CCN(C(=O)Nc2cccc(C)c2C)CC1.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide?
The InChIKey is LTTMFZVKHHOPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14-6-4-7-16(15(14)2)18-17(21)20-11-9-19(10-12-20)8-5-13-22-3/h4,6-7H,5,8-13H2,1-3H3,(H,18,21).
What are the key properties of N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide?
N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).