4-[(2S)-2,6-diaminohexanoyl]-1-(2-phenylphenyl)piperazin-2-one

C22H28N4O2 — CID 119065860

IUPAC4-[(2S)-2,6-diaminohexanoyl]-1-(2-phenylphenyl)piperazin-2-one
SMILESNCCCC[C@H](N)C(=O)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1
InChIInChI=1S/C22H28N4O2/c23-13-7-6-11-19(24)22(28)25-14-15-26(21(27)16-25)20-12-5-4-10-18(20)17-8-2-1-3-9-17/h1-5,8-10,12,19H,6-7,11,13-16,23-24H2/t19-/m0/s1
InChIKeyHHPGRHYXYPQINQ-IBGZPJMESA-N
MW380.49 g/mol
LogP1.99
Rot. Bonds7

About 4-[(2S)-2,6-diaminohexanoyl]-1-(2-phenylphenyl)piperazin-2-one

4-[(2S)-2,6-diaminohexanoyl]-1-(2-phenylphenyl)piperazin-2-one (PubChem CID 119065860) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[(2S)-2,6-diaminohexanoyl]-1-(2-phenylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(2S)-2,6-diaminohexanoyl]-1-(2-phenylphenyl)piperazin-2-one
PubChem CID119065860
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-[(2S)-2,6-diaminohexanoyl]-1-(2-phenylphenyl)piperazin-2-one
SMILESNCCCC[C@H](N)C(=O)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1
InChIInChI=1S/C22H28N4O2/c23-13-7-6-11-19(24)22(28)25-14-15-26(21(27)16-25)20-12-5-4-10-18(20)17-8-2-1-3-9-17/h1-5,8-10,12,19H,6-7,11,13-16,23-24H2/t19-/m0/s1
InChIKeyHHPGRHYXYPQINQ-IBGZPJMESA-N
XLogP1.99
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylphenyl)-4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-2-one
CID 70720362
1-(2-methylphenyl)-4-(2-phenylbenzoyl)piperazin-2-one
CID 70760494
(5R)-4-(3-aminopropanoyl)-5-benzyl-1-(2-phenylphenyl)piperazin-2-one
CID 97154900
2-amino-1-[4-(2-phenylphenyl)piperazin-1-yl]ethanone
CID 59564588
2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 60918849
4-[(2S)-2-amino-3-phenylpropanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride
CID 119329138
2-[2-oxo-4-(2-propylpentanoyl)piperazin-1-yl]benzonitrile
CID 70724790
4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one
CID 70710183
4-(2-amino-4-phenylbutanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888793
(5-methyl-2-phenylpyrazol-3-yl) 4-[(2S)-2,6-diaminohexanoyl]piperazine-1-carboxylate;dihydrochloride
CID 146448775
[(2R)-1-[4-(2-chlorophenyl)-3-oxopiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 96582137
4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one
CID 96571606

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2,6-diaminohexanoyl]-1-(2-phenylphenyl)piperazin-2-one?
The IUPAC name of 4-[(2S)-2,6-diaminohexanoyl]-1-(2-phenylphenyl)piperazin-2-one (CID 119065860) is 4-[(2S)-2,6-diaminohexanoyl]-1-(2-phenylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[(2S)-2,6-diaminohexanoyl]-1-(2-phenylphenyl)piperazin-2-one?
The canonical SMILES for 4-[(2S)-2,6-diaminohexanoyl]-1-(2-phenylphenyl)piperazin-2-one is NCCCC[C@H](N)C(=O)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1.
What is the InChIKey of 4-[(2S)-2,6-diaminohexanoyl]-1-(2-phenylphenyl)piperazin-2-one?
The InChIKey is HHPGRHYXYPQINQ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N4O2/c23-13-7-6-11-19(24)22(28)25-14-15-26(21(27)16-25)20-12-5-4-10-18(20)17-8-2-1-3-9-17/h1-5,8-10,12,19H,6-7,11,13-16,23-24H2/t19-/m0/s1.
What are the key properties of 4-[(2S)-2,6-diaminohexanoyl]-1-(2-phenylphenyl)piperazin-2-one?
4-[(2S)-2,6-diaminohexanoyl]-1-(2-phenylphenyl)piperazin-2-one has a molecular weight of 380.49 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2,6-diaminohexanoyl]-1-(2-phenylphenyl)piperazin-2-one is sourced from PubChem (CID 119065860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).