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

C19H28N4O2 — CID 120562652

IUPAC3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESCC(N)CCC(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C19H28N4O2/c1-15(20)7-8-18(24)22-13-11-21(12-14-22)17-9-10-23(19(17)25)16-5-3-2-4-6-16/h2-6,15,17H,7-14,20H2,1H3
InChIKeyRGMMHXKJYYQKAZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.06
Rot. Bonds5

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

3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one (PubChem CID 120562652) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
PubChem CID120562652
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
SMILESCC(N)CCC(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C19H28N4O2/c1-15(20)7-8-18(24)22-13-11-21(12-14-22)17-9-10-23(19(17)25)16-5-3-2-4-6-16/h2-6,15,17H,7-14,20H2,1H3
InChIKeyRGMMHXKJYYQKAZ-UHFFFAOYSA-N
XLogP1.06
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one (CID 120562652) is 3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one is CC(N)CCC(=O)N1CCN(C2CCN(c3ccccc3)C2=O)CC1.
What is the InChIKey of 3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is RGMMHXKJYYQKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15(20)7-8-18(24)22-13-11-21(12-14-22)17-9-10-23(19(17)25)16-5-3-2-4-6-16/h2-6,15,17H,7-14,20H2,1H3.
What are the key properties of 3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one?
3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 344.46 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-aminopentanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 120562652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).