N,4-bis(4-methylphenyl)piperazine-1-carboxamide

C19H23N3O — CID 113111254

IUPACN,4-bis(4-methylphenyl)piperazine-1-carboxamide
SMILESCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C
InChIInChI=1S/C19H23N3O/c1-15-3-7-17(8-4-15)20-19(23)22-13-11-21(12-14-22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3,(H,20,23)
InChIKeyNZKIKYQXWVZZNL-UHFFFAOYSA-N
MW309.40 g/mol
LogP3.40
Rot. Bonds2

About N,4-bis(4-methylphenyl)piperazine-1-carboxamide

N,4-bis(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 113111254) has the molecular formula C19H23N3O and a molecular weight of 309.40 g/mol. Its IUPAC name is N,4-bis(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,4-bis(4-methylphenyl)piperazine-1-carboxamide
PubChem CID113111254
Molecular FormulaC19H23N3O
Molecular Weight309.40 g/mol
Exact Mass309.18
IUPAC NameN,4-bis(4-methylphenyl)piperazine-1-carboxamide
SMILESCC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C
InChIInChI=1S/C19H23N3O/c1-15-3-7-17(8-4-15)20-19(23)22-13-11-21(12-14-22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3,(H,20,23)
InChIKeyNZKIKYQXWVZZNL-UHFFFAOYSA-N
XLogP3.40
TPSA35.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity376

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N,4-bis(4-methylphenyl)piperazine-1-carboxamide (CID 113111254) is N,4-bis(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N,4-bis(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N,4-bis(4-methylphenyl)piperazine-1-carboxamide is CC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C.
What is the InChIKey of N,4-bis(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is NZKIKYQXWVZZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15-3-7-17(8-4-15)20-19(23)22-13-11-21(12-14-22)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3,(H,20,23).
What are the key properties of N,4-bis(4-methylphenyl)piperazine-1-carboxamide?
N,4-bis(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 309.40 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).