(3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride

C14H21Cl2N3O — CID 67060834

IUPAC(3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1[C@@H](N2CCNCC2)CCN1c1ccccc1
InChIInChI=1S/C14H19N3O.2ClH/c18-14-13(16-10-7-15-8-11-16)6-9-17(14)12-4-2-1-3-5-12;;/h1-5,13,15H,6-11H2;2*1H/t13-;;/m0../s1
InChIKeyJLXJZSQICQIROW-GXKRWWSZSA-N
MW318.25 g/mol
LogP1.54
Rot. Bonds2

About (3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride

(3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride (PubChem CID 67060834) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is (3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name(3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride
PubChem CID67060834
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name(3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride
SMILESCl.Cl.O=C1[C@@H](N2CCNCC2)CCN1c1ccccc1
InChIInChI=1S/C14H19N3O.2ClH/c18-14-13(16-10-7-15-8-11-16)6-9-17(14)12-4-2-1-3-5-12;;/h1-5,13,15H,6-11H2;2*1H/t13-;;/m0../s1
InChIKeyJLXJZSQICQIROW-GXKRWWSZSA-N
XLogP1.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119783889
3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119323757
3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119323783
1-phenyl-3-[4-(1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrrolidin-2-one
CID 122133822
3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119783871
3-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 133410279
3-[4-[2-(methylamino)acetyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 119783870
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-phenylpyrrolidin-2-one
CID 110020226
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
3-fluoro-1-phenylpyrrolidin-2-one
CID 157010734

Frequently Asked Questions

What is the IUPAC name of (3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride?
The IUPAC name of (3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride (CID 67060834) is (3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for (3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride?
The canonical SMILES for (3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride is Cl.Cl.O=C1[C@@H](N2CCNCC2)CCN1c1ccccc1.
What is the InChIKey of (3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride?
The InChIKey is JLXJZSQICQIROW-GXKRWWSZSA-N. The full InChI is InChI=1S/C14H19N3O.2ClH/c18-14-13(16-10-7-15-8-11-16)6-9-17(14)12-4-2-1-3-5-12;;/h1-5,13,15H,6-11H2;2*1H/t13-;;/m0../s1.
What are the key properties of (3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride?
(3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride has a molecular weight of 318.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 67060834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).