1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione

C22H30N2O3 — CID 110560078

IUPAC1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCCCCOCCCN1C(=O)C(c2ccccc2)=C(N2CCCCC2)C1=O
InChIInChI=1S/C22H30N2O3/c1-2-3-16-27-17-10-15-24-21(25)19(18-11-6-4-7-12-18)20(22(24)26)23-13-8-5-9-14-23/h4,6-7,11-12H,2-3,5,8-10,13-17H2,1H3
InChIKeyKROBVAPMMAMWAF-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.46
Rot. Bonds9

About 1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione

1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 110560078) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID110560078
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCCCCOCCCN1C(=O)C(c2ccccc2)=C(N2CCCCC2)C1=O
InChIInChI=1S/C22H30N2O3/c1-2-3-16-27-17-10-15-24-21(25)19(18-11-6-4-7-12-18)20(22(24)26)23-13-8-5-9-14-23/h4,6-7,11-12H,2-3,5,8-10,13-17H2,1H3
InChIKeyKROBVAPMMAMWAF-UHFFFAOYSA-N
XLogP3.46
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-butoxypropyl)-3-(4-chlorophenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110570148
3-(4-ethoxyphenyl)-1-(3-ethoxypropyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110547102
3-(4-ethoxyphenyl)-1-(3-ethoxypropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110547106
1-(3-ethoxypropyl)-3-(4-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110577134
1-hexyl-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110572931
1-butyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110559340
1-hexyl-3-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110556756
1-(3-butoxypropyl)-3-(4-ethylpiperazin-1-yl)-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577120
3-(4-ethoxyphenyl)-1-(3-methoxypropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110546843
1-decyl-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110544258
3-piperidin-1-yl-4-(4-propoxyphenyl)-1-propylpyrrole-2,5-dione
CID 110576662
1-(3-butoxypropyl)-3-(3-methylpiperidin-1-yl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575607

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione (CID 110560078) is 1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione is CCCCOCCCN1C(=O)C(c2ccccc2)=C(N2CCCCC2)C1=O.
What is the InChIKey of 1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is KROBVAPMMAMWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-2-3-16-27-17-10-15-24-21(25)19(18-11-6-4-7-12-18)20(22(24)26)23-13-8-5-9-14-23/h4,6-7,11-12H,2-3,5,8-10,13-17H2,1H3.
What are the key properties of 1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione?
1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 370.49 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-3-phenyl-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110560078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).