1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride

C16H20ClN3O3 — CID 119401688

IUPAC1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
SMILESCl.O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCNCC1
InChIInChI=1S/C16H19N3O3.ClH/c20-14-5-6-15(21)19(14)11-12-1-3-13(4-2-12)16(22)18-9-7-17-8-10-18;/h1-4,17H,5-11H2;1H
InChIKeyHCVPABMWQSERDL-UHFFFAOYSA-N
MW337.81 g/mol
LogP0.80
Rot. Bonds3

About 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride

1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride (PubChem CID 119401688) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
PubChem CID119401688
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
SMILESCl.O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCNCC1
InChIInChI=1S/C16H19N3O3.ClH/c20-14-5-6-15(21)19(14)11-12-1-3-13(4-2-12)16(22)18-9-7-17-8-10-18;/h1-4,17H,5-11H2;1H
InChIKeyHCVPABMWQSERDL-UHFFFAOYSA-N
XLogP0.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 24540069
piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 39284007
1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyridin-4-one
CID 39146759
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 167938471
1-[[4-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 134010109
2-[4-(piperazine-1-carbonyl)phenyl]acetonitrile
CID 82179229
4-[(2,7-dioxoazepan-1-yl)methyl]benzoic acid
CID 43446723
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 35343180
3-[[4-(3-methylpiperazine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 119576948
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
2-benzyl-5-(1,4-diazepane-1-carbonyl)isoindole-1,3-dione;hydrochloride
CID 119414754
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-piperazin-1-ylmethanone
CID 119400480

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride (CID 119401688) is 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride is Cl.O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCNCC1.
What is the InChIKey of 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride?
The InChIKey is HCVPABMWQSERDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.ClH/c20-14-5-6-15(21)19(14)11-12-1-3-13(4-2-12)16(22)18-9-7-17-8-10-18;/h1-4,17H,5-11H2;1H.
What are the key properties of 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride?
1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(piperazine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 119401688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).