(2R)-N-(4-aminophenyl)-1-benzyl-4-phenylpiperazine-2-carboxamide

C24H26N4O — CID 92981232

IUPAC(2R)-N-(4-aminophenyl)-1-benzyl-4-phenylpiperazine-2-carboxamide
SMILESNc1ccc(NC(=O)[C@H]2CN(c3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C24H26N4O/c25-20-11-13-21(14-12-20)26-24(29)23-18-27(22-9-5-2-6-10-22)15-16-28(23)17-19-7-3-1-4-8-19/h1-14,23H,15-18,25H2,(H,26,29)/t23-/m1/s1
InChIKeyQRSCKBDDSSPKDI-HSZRJFAPSA-N
MW386.50 g/mol
LogP3.60
Rot. Bonds5

About (2R)-N-(4-aminophenyl)-1-benzyl-4-phenylpiperazine-2-carboxamide

(2R)-N-(4-aminophenyl)-1-benzyl-4-phenylpiperazine-2-carboxamide (PubChem CID 92981232) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is (2R)-N-(4-aminophenyl)-1-benzyl-4-phenylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-aminophenyl)-1-benzyl-4-phenylpiperazine-2-carboxamide
PubChem CID92981232
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name(2R)-N-(4-aminophenyl)-1-benzyl-4-phenylpiperazine-2-carboxamide
SMILESNc1ccc(NC(=O)[C@H]2CN(c3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C24H26N4O/c25-20-11-13-21(14-12-20)26-24(29)23-18-27(22-9-5-2-6-10-22)15-16-28(23)17-19-7-3-1-4-8-19/h1-14,23H,15-18,25H2,(H,26,29)/t23-/m1/s1
InChIKeyQRSCKBDDSSPKDI-HSZRJFAPSA-N
XLogP3.60
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-1-benzyl-4-phenylpiperazin-2-yl]acetic acid
CID 164560835
1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
CID 60563181
4-benzylpiperazine-1,3-dicarboxylic acid
CID 142773332
(2S)-4-benzyl-N-methyl-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]piperazine-2-carboxamide
CID 124963276
1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45154166
N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride
CID 119420472
(2S,4R)-1-(1-benzylpiperidin-4-yl)-4-hydroxy-N-phenylpyrrolidine-2-carboxamide
CID 155881903
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
(2R)-1-benzyl-N-(4-hydroxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 129392844
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
(2S)-1-benzyl-N-methyl-4-propan-2-ylpiperazine-2-carboxamide
CID 95827904
1-benzyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 60586090

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-aminophenyl)-1-benzyl-4-phenylpiperazine-2-carboxamide?
The IUPAC name of (2R)-N-(4-aminophenyl)-1-benzyl-4-phenylpiperazine-2-carboxamide (CID 92981232) is (2R)-N-(4-aminophenyl)-1-benzyl-4-phenylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-aminophenyl)-1-benzyl-4-phenylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-aminophenyl)-1-benzyl-4-phenylpiperazine-2-carboxamide is Nc1ccc(NC(=O)[C@H]2CN(c3ccccc3)CCN2Cc2ccccc2)cc1.
What is the InChIKey of (2R)-N-(4-aminophenyl)-1-benzyl-4-phenylpiperazine-2-carboxamide?
The InChIKey is QRSCKBDDSSPKDI-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H26N4O/c25-20-11-13-21(14-12-20)26-24(29)23-18-27(22-9-5-2-6-10-22)15-16-28(23)17-19-7-3-1-4-8-19/h1-14,23H,15-18,25H2,(H,26,29)/t23-/m1/s1.
What are the key properties of (2R)-N-(4-aminophenyl)-1-benzyl-4-phenylpiperazine-2-carboxamide?
(2R)-N-(4-aminophenyl)-1-benzyl-4-phenylpiperazine-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-aminophenyl)-1-benzyl-4-phenylpiperazine-2-carboxamide is sourced from PubChem (CID 92981232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).