3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione

C18H21ClN2O2 — CID 110570292

IUPAC3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C(c2ccc(Cl)cc2)=C(N2CCCCC2)C1=O
InChIInChI=1S/C18H21ClN2O2/c1-12(2)21-17(22)15(13-6-8-14(19)9-7-13)16(18(21)23)20-10-4-3-5-11-20/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyHFCNPROXAQXWPE-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.31
Rot. Bonds3

About 3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione

3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione (PubChem CID 110570292) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione
PubChem CID110570292
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C(c2ccc(Cl)cc2)=C(N2CCCCC2)C1=O
InChIInChI=1S/C18H21ClN2O2/c1-12(2)21-17(22)15(13-6-8-14(19)9-7-13)16(18(21)23)20-10-4-3-5-11-20/h6-9,12H,3-5,10-11H2,1-2H3
InChIKeyHFCNPROXAQXWPE-UHFFFAOYSA-N
XLogP3.31
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-benzylpiperazin-1-yl)-4-(4-chlorophenyl)-1-propan-2-ylpyrrole-2,5-dione
CID 110570303
3-(4-nitrophenyl)-1-propan-2-yl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110541926
3-(4-chlorophenyl)-1-cyclohexyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110569779
1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110570533
1-propan-2-yl-3-pyrrolidin-1-yl-4-thiophen-2-ylpyrrole-2,5-dione
CID 110553811
1-(4-tert-butylphenyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110570891
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110571137
3-phenyl-1-propan-2-yl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110560331
3-(4-phenylpiperazin-1-yl)-1-propan-2-yl-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575696
3-(4-fluorophenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
CID 110544529
1-(3-butoxypropyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110570148
3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
CID 110544525

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione (CID 110570292) is 3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione is CC(C)N1C(=O)C(c2ccc(Cl)cc2)=C(N2CCCCC2)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is HFCNPROXAQXWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-12(2)21-17(22)15(13-6-8-14(19)9-7-13)16(18(21)23)20-10-4-3-5-11-20/h6-9,12H,3-5,10-11H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione?
3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 332.83 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-piperidin-1-yl-1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 110570292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).