N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide

C24H32N4O — CID 113108912

IUPACN-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCN(c2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C24H32N4O/c29-24(25-14-13-21-7-3-1-4-8-21)28-19-17-27(18-20-28)23-11-9-22(10-12-23)26-15-5-2-6-16-26/h1,3-4,7-12H,2,5-6,13-20H2,(H,25,29)
InChIKeyIZRRNKNDDGPILE-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.75
Rot. Bonds5

About N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide

N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide (PubChem CID 113108912) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
PubChem CID113108912
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC NameN-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCN(c2ccc(N3CCCCC3)cc2)CC1
InChIInChI=1S/C24H32N4O/c29-24(25-14-13-21-7-3-1-4-8-21)28-19-17-27(18-20-28)23-11-9-22(10-12-23)26-15-5-2-6-16-26/h1,3-4,7-12H,2,5-6,13-20H2,(H,25,29)
InChIKeyIZRRNKNDDGPILE-UHFFFAOYSA-N
XLogP3.75
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[4-(2-phenylethylcarbamoyl)piperazin-1-yl]benzoate
CID 113108908
4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108874
4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
N-(2-phenylethyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 119074881
4-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 27537143
4-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108917
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080
N-(3-phenylpropyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110182
4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110204
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113104871
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide (CID 113108912) is N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide is O=C(NCCc1ccccc1)N1CCN(c2ccc(N3CCCCC3)cc2)CC1.
What is the InChIKey of N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
The InChIKey is IZRRNKNDDGPILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c29-24(25-14-13-21-7-3-1-4-8-21)28-19-17-27(18-20-28)23-11-9-22(10-12-23)26-15-5-2-6-16-26/h1,3-4,7-12H,2,5-6,13-20H2,(H,25,29).
What are the key properties of N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide?
N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).