N-benzoyl-4-(4-methoxyphenyl)piperazine-1-carboxamide

C19H21N3O3 — CID 701195

IUPACN-benzoyl-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N3O3/c1-25-17-9-7-16(8-10-17)21-11-13-22(14-12-21)19(24)20-18(23)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,20,23,24)
InChIKeyWSWUTRIHOKXANQ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.37
Rot. Bonds3

About N-benzoyl-4-(4-methoxyphenyl)piperazine-1-carboxamide

N-benzoyl-4-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 701195) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-benzoyl-4-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzoyl-4-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID701195
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-benzoyl-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H21N3O3/c1-25-17-9-7-16(8-10-17)21-11-13-22(14-12-21)19(24)20-18(23)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,20,23,24)
InChIKeyWSWUTRIHOKXANQ-UHFFFAOYSA-N
XLogP2.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzoyl-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-benzoyl-4-(4-methoxyphenyl)piperazine-1-carboxamide (CID 701195) is N-benzoyl-4-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzoyl-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzoyl-4-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)NC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-benzoyl-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is WSWUTRIHOKXANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-25-17-9-7-16(8-10-17)21-11-13-22(14-12-21)19(24)20-18(23)15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,20,23,24).
What are the key properties of N-benzoyl-4-(4-methoxyphenyl)piperazine-1-carboxamide?
N-benzoyl-4-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-4-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 701195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).