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

C18H27ClN4O2 — CID 119323783

IUPAC3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
SMILESCl.NCCCC(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C18H26N4O2.ClH/c19-9-4-7-17(23)21-13-11-20(12-14-21)16-8-10-22(18(16)24)15-5-2-1-3-6-15;/h1-3,5-6,16H,4,7-14,19H2;1H
InChIKeyHJWMHRNTJWRINU-UHFFFAOYSA-N
MW366.89 g/mol
LogP1.10
Rot. Bonds5

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

3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride (PubChem CID 119323783) has the molecular formula C18H27ClN4O2 and a molecular weight of 366.89 g/mol. Its IUPAC name is 3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
PubChem CID119323783
Molecular FormulaC18H27ClN4O2
Molecular Weight366.89 g/mol
Exact Mass366.18
IUPAC Name3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
SMILESCl.NCCCC(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C18H26N4O2.ClH/c19-9-4-7-17(23)21-13-11-20(12-14-21)16-8-10-22(18(16)24)15-5-2-1-3-6-15;/h1-3,5-6,16H,4,7-14,19H2;1H
InChIKeyHJWMHRNTJWRINU-UHFFFAOYSA-N
XLogP1.10
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119323757
3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 120562652
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-(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
(3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride
CID 67060834
4-amino-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one;dihydrochloride
CID 119860823
7-amino-1-(4-phenylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119826823
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-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119783871

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride?
The IUPAC name of 3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride (CID 119323783) is 3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for 3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride is Cl.NCCCC(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1.
What is the InChIKey of 3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride?
The InChIKey is HJWMHRNTJWRINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2.ClH/c19-9-4-7-17(23)21-13-11-20(12-14-21)16-8-10-22(18(16)24)15-5-2-1-3-6-15;/h1-3,5-6,16H,4,7-14,19H2;1H.
What are the key properties of 3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride?
3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119323783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).