4-methyl-N,N-diphenylpiperazine-1-carboxamide;hydrochloride

C18H22ClN3O — CID 23723105

IUPAC4-methyl-N,N-diphenylpiperazine-1-carboxamide;hydrochloride
SMILESCN1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C18H21N3O.ClH/c1-19-12-14-20(15-13-19)18(22)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11H,12-15H2,1H3;1H
InChIKeyBKOCNPIRNIOTGA-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.61
Rot. Bonds2

About 4-methyl-N,N-diphenylpiperazine-1-carboxamide;hydrochloride

4-methyl-N,N-diphenylpiperazine-1-carboxamide;hydrochloride (PubChem CID 23723105) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 4-methyl-N,N-diphenylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N,N-diphenylpiperazine-1-carboxamide;hydrochloride
PubChem CID23723105
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name4-methyl-N,N-diphenylpiperazine-1-carboxamide;hydrochloride
SMILESCN1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C18H21N3O.ClH/c1-19-12-14-20(15-13-19)18(22)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11H,12-15H2,1H3;1H
InChIKeyBKOCNPIRNIOTGA-UHFFFAOYSA-N
XLogP3.61
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-diphenylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-N,N-diphenylpiperazine-1-carboxamide;hydrochloride (CID 23723105) is 4-methyl-N,N-diphenylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-N,N-diphenylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-N,N-diphenylpiperazine-1-carboxamide;hydrochloride is CN1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1.Cl.
What is the InChIKey of 4-methyl-N,N-diphenylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is BKOCNPIRNIOTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.ClH/c1-19-12-14-20(15-13-19)18(22)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11H,12-15H2,1H3;1H.
What are the key properties of 4-methyl-N,N-diphenylpiperazine-1-carboxamide;hydrochloride?
4-methyl-N,N-diphenylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 331.85 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-diphenylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 23723105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).