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

C19H23N3O — CID 113111254

IUPACN,4-bis(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(C)cc3)CC2)cc1
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
MW309.41 g/mol
LogP3.66
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 309.41 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 Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN,4-bis(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(C)cc3)CC2)cc1
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
XLogP3.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.66
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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Related Compounds

N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 113111310
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210
4-(2,5-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111533
N-(4-pyrrolidin-1-ylphenyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113112439
N-(4-acetamidophenyl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111755
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-methylbenzamide
CID 1132517
N-[4-(4-methylpiperazin-1-yl)phenyl]azepane-1-carboxamide
CID 108991074
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070

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 Cc1ccc(NC(=O)N2CCN(c3ccc(C)cc3)CC2)cc1.
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 309.41 g/mol, XLogP of 3.66, 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).