4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride

C19H28ClN3O2 — CID 108913341

IUPAC4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride
SMILESCc1cccc(N2CCN(C(=O)NC=C3CCOCC3)CC2)c1C.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-15-4-3-5-18(16(15)2)21-8-10-22(11-9-21)19(23)20-14-17-6-12-24-13-7-17;/h3-5,14H,6-13H2,1-2H3,(H,20,23);1H
InChIKeyYADQZVQQPLJUKS-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.25
Rot. Bonds2

About 4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride

4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 108913341) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride
PubChem CID108913341
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride
SMILESCc1cccc(N2CCN(C(=O)NC=C3CCOCC3)CC2)c1C.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-15-4-3-5-18(16(15)2)21-8-10-22(11-9-21)19(23)20-14-17-6-12-24-13-7-17;/h3-5,14H,6-13H2,1-2H3,(H,20,23);1H
InChIKeyYADQZVQQPLJUKS-UHFFFAOYSA-N
XLogP3.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride (CID 108913341) is 4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride is Cc1cccc(N2CCN(C(=O)NC=C3CCOCC3)CC2)c1C.Cl.
What is the InChIKey of 4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is YADQZVQQPLJUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-15-4-3-5-18(16(15)2)21-8-10-22(11-9-21)19(23)20-14-17-6-12-24-13-7-17;/h3-5,14H,6-13H2,1-2H3,(H,20,23);1H.
What are the key properties of 4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride?
4-(2,3-dimethylphenyl)-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 3.25, 2 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-(oxan-4-ylidenemethyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 108913341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).