3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one

C20H28N4O2 — CID 119323770

IUPAC3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESNC1(C(=O)N2CCN(C3CCN(c4ccccc4)C3=O)CC2)CCCC1
InChIInChI=1S/C20H28N4O2/c21-20(9-4-5-10-20)19(26)23-14-12-22(13-15-23)17-8-11-24(18(17)25)16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15,21H2
InChIKeyQMXIKGHZLUQDEW-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.21
Rot. Bonds3

About 3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one

3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one (PubChem CID 119323770) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
PubChem CID119323770
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESNC1(C(=O)N2CCN(C3CCN(c4ccccc4)C3=O)CC2)CCCC1
InChIInChI=1S/C20H28N4O2/c21-20(9-4-5-10-20)19(26)23-14-12-22(13-15-23)17-8-11-24(18(17)25)16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15,21H2
InChIKeyQMXIKGHZLUQDEW-UHFFFAOYSA-N
XLogP1.21
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.21
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-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 119783870
3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119323783
3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119783889
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-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 120989773
(1-aminocyclopentyl)-(4-phenylpiperidin-1-yl)methanone;hydrochloride
CID 119278406
[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-phenylmethanone;hydrochloride
CID 119276681
(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-aminocyclopentyl)-(4-phenylazepan-1-yl)methanone;hydrochloride
CID 119316131

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one (CID 119323770) is 3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one is NC1(C(=O)N2CCN(C3CCN(c4ccccc4)C3=O)CC2)CCCC1.
What is the InChIKey of 3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is QMXIKGHZLUQDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c21-20(9-4-5-10-20)19(26)23-14-12-22(13-15-23)17-8-11-24(18(17)25)16-6-2-1-3-7-16/h1-3,6-7,17H,4-5,8-15,21H2.
What are the key properties of 3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 356.47 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 119323770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).