(2,5-dioxopyrrolidin-1-yl) N-[(4-piperidin-1-ylphenyl)methyl]-N-propylcarbamate

C20H27N3O4 — CID 71744661

IUPAC(2,5-dioxopyrrolidin-1-yl) N-[(4-piperidin-1-ylphenyl)methyl]-N-propylcarbamate
SMILESCCCN(Cc1ccc(N2CCCCC2)cc1)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H27N3O4/c1-2-12-22(20(26)27-23-18(24)10-11-19(23)25)15-16-6-8-17(9-7-16)21-13-4-3-5-14-21/h6-9H,2-5,10-15H2,1H3
InChIKeySOOYXTCIQMLHRY-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.09
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) N-[(4-piperidin-1-ylphenyl)methyl]-N-propylcarbamate

(2,5-dioxopyrrolidin-1-yl) N-[(4-piperidin-1-ylphenyl)methyl]-N-propylcarbamate (PubChem CID 71744661) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-[(4-piperidin-1-ylphenyl)methyl]-N-propylcarbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-[(4-piperidin-1-ylphenyl)methyl]-N-propylcarbamate
PubChem CID71744661
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-[(4-piperidin-1-ylphenyl)methyl]-N-propylcarbamate
SMILESCCCN(Cc1ccc(N2CCCCC2)cc1)C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C20H27N3O4/c1-2-12-22(20(26)27-23-18(24)10-11-19(23)25)15-16-6-8-17(9-7-16)21-13-4-3-5-14-21/h6-9H,2-5,10-15H2,1H3
InChIKeySOOYXTCIQMLHRY-UHFFFAOYSA-N
XLogP3.09
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-Methylphenyl)succinimide
CID 75335
1-Benzyl-3-(hydroxyanilino)-2,5-pyrrolidinedione
CID 2837843
1-(m-Trifluorophenyl)piperazine, 3
CID 42618268
1-(3,4-Dimethylphenyl)-4-(1-piperidinylcarbonyl)-2-pyrrolidinone
CID 6461557
4-(Azepane-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 6497554
N-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 648286
3,3'-(Hydroxyazanediyl)bis(1-(p-tolyl)pyrrolidine-2,5-dione)
CID 662190
3-(4-Methylpiperazin-1-yl)-1-(4-(2-oxopyrrolidin-1-yl)benzyl)pyrrolidine-2,5-dione
CID 3811187
1-(4-Methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 651502
Fentanyl N-oxide
CID 27282486
3-((2-(2,5-Dioxopyrrolidin-1-yl)ethyl)(3-methylphenyl)amino)propiononitrile
CID 75209
1-[4-(dimethylamino)benzyl]-N,N-diethyl-nipecotamide
CID 2837886

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[(4-piperidin-1-ylphenyl)methyl]-N-propylcarbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[(4-piperidin-1-ylphenyl)methyl]-N-propylcarbamate (CID 71744661) is (2,5-dioxopyrrolidin-1-yl) N-[(4-piperidin-1-ylphenyl)methyl]-N-propylcarbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-[(4-piperidin-1-ylphenyl)methyl]-N-propylcarbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-[(4-piperidin-1-ylphenyl)methyl]-N-propylcarbamate is CCCN(Cc1ccc(N2CCCCC2)cc1)C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-[(4-piperidin-1-ylphenyl)methyl]-N-propylcarbamate?
The InChIKey is SOOYXTCIQMLHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-2-12-22(20(26)27-23-18(24)10-11-19(23)25)15-16-6-8-17(9-7-16)21-13-4-3-5-14-21/h6-9H,2-5,10-15H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-[(4-piperidin-1-ylphenyl)methyl]-N-propylcarbamate?
(2,5-dioxopyrrolidin-1-yl) N-[(4-piperidin-1-ylphenyl)methyl]-N-propylcarbamate has a molecular weight of 373.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-[(4-piperidin-1-ylphenyl)methyl]-N-propylcarbamate is sourced from PubChem (CID 71744661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).