4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one

C17H21N5O2 — CID 119951749

IUPAC4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(C(=O)CC(N)c3ccccc3)CC2=O)cn1
InChIInChI=1S/C17H21N5O2/c1-20-11-14(10-19-20)22-8-7-21(12-17(22)24)16(23)9-15(18)13-5-3-2-4-6-13/h2-6,10-11,15H,7-9,12,18H2,1H3
InChIKeyFEMSBYFDUZGKIF-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.69
Rot. Bonds4

About 4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one

4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 119951749) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID119951749
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(C(=O)CC(N)c3ccccc3)CC2=O)cn1
InChIInChI=1S/C17H21N5O2/c1-20-11-14(10-19-20)22-8-7-21(12-17(22)24)16(23)9-15(18)13-5-3-2-4-6-13/h2-6,10-11,15H,7-9,12,18H2,1H3
InChIKeyFEMSBYFDUZGKIF-UHFFFAOYSA-N
XLogP0.69
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-2-amino-3-phenylpropanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride
CID 119329138
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 119951802
3-amino-1-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-3-phenylpropan-1-one
CID 119953964
N'-methyl-4-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-yl-2-phenylethyl)-3-oxopiperazine-1-carboximidamide
CID 109433413
4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one
CID 110708065
4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 154739436
N-[[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 119950991
3-amino-1-[4-(2-methoxyacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119949477
3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63633887
4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide
CID 61041324
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-phenoxypropyl)piperazine-1-carboximidamide
CID 109433763

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 119951749) is 4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one is Cn1cc(N2CCN(C(=O)CC(N)c3ccccc3)CC2=O)cn1.
What is the InChIKey of 4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is FEMSBYFDUZGKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-20-11-14(10-19-20)22-8-7-21(12-17(22)24)16(23)9-15(18)13-5-3-2-4-6-13/h2-6,10-11,15H,7-9,12,18H2,1H3.
What are the key properties of 4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?
4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 327.39 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 119951749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).