5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one

C18H23N5O2 — CID 91828791

IUPAC5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)cc1=O
InChIInChI=1S/C18H23N5O2/c1-21-17(24)12-15(13-20-21)22-7-9-23(10-8-22)18(25)16(19)11-14-5-3-2-4-6-14/h2-6,12-13,16H,7-11,19H2,1H3/t16-/m0/s1
InChIKeyXUUNMFHQGJYPKW-INIZCTEOSA-N
MW341.42 g/mol
LogP-0.00
Rot. Bonds4

About 5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 91828791) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID91828791
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)cc1=O
InChIInChI=1S/C18H23N5O2/c1-21-17(24)12-15(13-20-21)22-7-9-23(10-8-22)18(25)16(19)11-14-5-3-2-4-6-14/h2-6,12-13,16H,7-11,19H2,1H3/t16-/m0/s1
InChIKeyXUUNMFHQGJYPKW-INIZCTEOSA-N
XLogP-0.00
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22691202
2-amino-3-phenyl-1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one;dihydrochloride
CID 119860769
(2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22689945
2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119827481
5-[4-(2-cyclopentyl-2-phenylacetyl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 91777949
(2R)-2-amino-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 16662104
4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide
CID 119843910
4-[(2S)-2-amino-3-phenylpropanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride
CID 119329138
4-[4-(2-amino-3-phenylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843909
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-phenylpropan-1-one
CID 61430391

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one (CID 91828791) is 5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)cc1=O.
What is the InChIKey of 5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is XUUNMFHQGJYPKW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-21-17(24)12-15(13-20-21)22-7-9-23(10-8-22)18(25)16(19)11-14-5-3-2-4-6-14/h2-6,12-13,16H,7-11,19H2,1H3/t16-/m0/s1.
What are the key properties of 5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 341.42 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2S)-2-amino-3-phenylpropanoyl]piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 91828791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).