4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride

C21H28ClN3O2 — CID 108893074

IUPAC4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
SMILESCc1ccc(OCNC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-16-7-9-19(10-8-16)26-15-22-21(25)24-13-11-23(12-14-24)20-6-4-5-17(2)18(20)3;/h4-10H,11-15H2,1-3H3,(H,22,25);1H
InChIKeyUZCFVUYHDVIFBW-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.90
Rot. Bonds4

About 4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride

4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride (PubChem CID 108893074) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
PubChem CID108893074
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
SMILESCc1ccc(OCNC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-16-7-9-19(10-8-16)26-15-22-21(25)24-13-11-23(12-14-24)20-6-4-5-17(2)18(20)3;/h4-10H,11-15H2,1-3H3,(H,22,25);1H
InChIKeyUZCFVUYHDVIFBW-UHFFFAOYSA-N
XLogP3.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dimethylphenyl)-N-[(4-propylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
CID 108879621
4-(2,3-dimethylphenyl)-N-[(2-ethylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
CID 108893447
N-[2-(4-chlorophenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 27532771
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 112974123
N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 25349553
4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 108988126
N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108902650
[4-[[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]amino]phenyl] ethyl carbonate;hydrochloride
CID 108865707
N-[(2,3-dimethylphenoxy)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108878483
N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108891987
N-cyclohexyl-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108868301
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one
CID 2509747

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride (CID 108893074) is 4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride is Cc1ccc(OCNC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1.Cl.
What is the InChIKey of 4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride?
The InChIKey is UZCFVUYHDVIFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.ClH/c1-16-7-9-19(10-8-16)26-15-22-21(25)24-13-11-23(12-14-24)20-6-4-5-17(2)18(20)3;/h4-10H,11-15H2,1-3H3,(H,22,25);1H.
What are the key properties of 4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride?
4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 3.90, 4 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-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 108893074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).