4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one

C17H22FN3O2 — CID 119803556

IUPAC4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
SMILESO=C(CNCC1CC1)N1CCN(Cc2cccc(F)c2)C(=O)C1
InChIInChI=1S/C17H22FN3O2/c18-15-3-1-2-14(8-15)11-20-6-7-21(12-17(20)23)16(22)10-19-9-13-4-5-13/h1-3,8,13,19H,4-7,9-12H2
InChIKeyUBVXWVBMXPQVIA-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.00
Rot. Bonds6

About 4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one

4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one (PubChem CID 119803556) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
PubChem CID119803556
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
SMILESO=C(CNCC1CC1)N1CCN(Cc2cccc(F)c2)C(=O)C1
InChIInChI=1S/C17H22FN3O2/c18-15-3-1-2-14(8-15)11-20-6-7-21(12-17(20)23)16(22)10-19-9-13-4-5-13/h1-3,8,13,19H,4-7,9-12H2
InChIKeyUBVXWVBMXPQVIA-UHFFFAOYSA-N
XLogP1.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119736883
4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
CID 166358962
1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one
CID 70710923
4-[[4-[(3-fluorophenyl)methyl]-3-oxopiperazine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023384
4-[2-amino-2-(4-methylphenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120668862
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 60868325
1-(4-benzylpiperazin-1-yl)-2-(cyclopropylmethylamino)ethanone;dihydrochloride
CID 119826750
4-[2-(3-fluorophenyl)acetyl]-1-methylpiperazin-2-one
CID 110708115
1-[(1R)-cyclohex-3-ene-1-carbonyl]-4-[(3-fluorophenyl)methyl]-1,4-diazepan-5-one
CID 42371584
N-[1-[2-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 26277723
2-(cyclopropylmethylamino)-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119887886

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one (CID 119803556) is 4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one is O=C(CNCC1CC1)N1CCN(Cc2cccc(F)c2)C(=O)C1.
What is the InChIKey of 4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one?
The InChIKey is UBVXWVBMXPQVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c18-15-3-1-2-14(8-15)11-20-6-7-21(12-17(20)23)16(22)10-19-9-13-4-5-13/h1-3,8,13,19H,4-7,9-12H2.
What are the key properties of 4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one?
4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one has a molecular weight of 319.38 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethylamino)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 119803556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).