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

C17H27N3O2 — CID 108988126

IUPAC4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C17H27N3O2/c1-14-6-4-7-16(15(14)2)19-9-11-20(12-10-19)17(21)18-8-5-13-22-3/h4,6-7H,5,8-13H2,1-3H3,(H,18,21)
InChIKeyDVWJYXXDVLSNBU-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.17
Rot. Bonds5

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

4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide (PubChem CID 108988126) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
PubChem CID108988126
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCOCCCNC(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C17H27N3O2/c1-14-6-4-7-16(15(14)2)19-9-11-20(12-10-19)17(21)18-8-5-13-22-3/h4,6-7H,5,8-13H2,1-3H3,(H,18,21)
InChIKeyDVWJYXXDVLSNBU-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(3-methoxypropylamino)ethanone
CID 108994088
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 112974123
N-[2-(4-chlorophenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 27532771
N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 25349553
4-(4-bromo-2-methylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105383
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
4-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)piperazine-1-carboxamide
CID 18129546
N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108902650
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167023
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone
CID 109114134
4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
CID 108893074
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108891424

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide (CID 108988126) is 4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide is COCCCNC(=O)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of 4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
The InChIKey is DVWJYXXDVLSNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14-6-4-7-16(15(14)2)19-9-11-20(12-10-19)17(21)18-8-5-13-22-3/h4,6-7H,5,8-13H2,1-3H3,(H,18,21).
What are the key properties of 4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide?
4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 108988126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).