1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride

C21H24ClN3O2 — CID 163326765

IUPAC1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride
SMILESCl.O=C1CC(N2CCC(c3ccncc3)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H23N3O2.ClH/c25-20-14-19(21(26)24(20)15-16-4-2-1-3-5-16)23-12-8-18(9-13-23)17-6-10-22-11-7-17;/h1-7,10-11,18-19H,8-9,12-15H2;1H
InChIKeyNHPCADLBXGCOCM-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.01
Rot. Bonds4

About 1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride

1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride (PubChem CID 163326765) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

Compound Name1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride
PubChem CID163326765
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride
SMILESCl.O=C1CC(N2CCC(c3ccncc3)CC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H23N3O2.ClH/c25-20-14-19(21(26)24(20)15-16-4-2-1-3-5-16)23-12-8-18(9-13-23)17-6-10-22-11-7-17;/h1-7,10-11,18-19H,8-9,12-15H2;1H
InChIKeyNHPCADLBXGCOCM-UHFFFAOYSA-N
XLogP3.01
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-benzyl-3-[4-(4-fluorophenyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 7357524
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
(3R)-1-ethyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358164
1-benzyl-3-[4-(2-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 18078344
1-benzyl-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2988908
4-(1-benzylpyrrolidin-3-yl)pyridine
CID 11085844
(3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2689096
4-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-N,N-dimethylpiperazine-1-sulfonamide
CID 98410970
(4S,8aS)-2-benzyl-4-phenyl-6,7,8,8a-tetrahydro-4H-pyrrolo[1,2-a]pyrazine-1,3-dione;hydrochloride
CID 56641090
3-(4-benzylpiperazin-1-yl)-1-propylpyrrolidine-2,5-dione
CID 2987252
(3S)-3-(4-benzylpiperidin-1-yl)-1-(2-phenylethyl)pyrrolidine-2,5-dione
CID 1356764
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 7456330

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride?
The IUPAC name of 1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride (CID 163326765) is 1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride.
What is the SMILES notation for 1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride?
The canonical SMILES for 1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride is Cl.O=C1CC(N2CCC(c3ccncc3)CC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride?
The InChIKey is NHPCADLBXGCOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2.ClH/c25-20-14-19(21(26)24(20)15-16-4-2-1-3-5-16)23-12-8-18(9-13-23)17-6-10-22-11-7-17;/h1-7,10-11,18-19H,8-9,12-15H2;1H.
What are the key properties of 1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride?
1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride has a molecular weight of 385.90 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-pyridin-4-ylpiperidin-1-yl)pyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 163326765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).