3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride

C16H23ClN4O2 — CID 119323757

IUPAC3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
SMILESCl.NCC(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C16H22N4O2.ClH/c17-12-15(21)19-10-8-18(9-11-19)14-6-7-20(16(14)22)13-4-2-1-3-5-13;/h1-5,14H,6-12,17H2;1H
InChIKeyBCNYWWKPFWNWDZ-UHFFFAOYSA-N
MW338.84 g/mol
LogP0.32
Rot. Bonds3

About 3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride

3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride (PubChem CID 119323757) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
PubChem CID119323757
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
SMILESCl.NCC(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C16H22N4O2.ClH/c17-12-15(21)19-10-8-18(9-11-19)14-6-7-20(16(14)22)13-4-2-1-3-5-13;/h1-5,14H,6-12,17H2;1H
InChIKeyBCNYWWKPFWNWDZ-UHFFFAOYSA-N
XLogP0.32
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119323783
3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 119783870
3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 119951477
3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 120562652
3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 119323770
3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 120989773
(3R)-3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-phenylpiperidin-2-one
CID 97317129
(3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride
CID 67060834
3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119783871
1-phenyl-3-[4-[3-(1,2,4-triazol-1-yl)propanoyl]piperazin-1-yl]piperidin-2-one
CID 75473662
3-[3-oxo-3-[4-[(3S)-2-oxo-1-phenylpiperidin-3-yl]piperazin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 97342927
3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119783889

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride?
The IUPAC name of 3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride (CID 119323757) is 3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for 3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride is Cl.NCC(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1.
What is the InChIKey of 3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride?
The InChIKey is BCNYWWKPFWNWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c17-12-15(21)19-10-8-18(9-11-19)14-6-7-20(16(14)22)13-4-2-1-3-5-13;/h1-5,14H,6-12,17H2;1H.
What are the key properties of 3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride?
3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119323757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).