4-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzoyl]morpholin-2-one

C21H28N2O4 — CID 175740761

IUPAC4-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzoyl]morpholin-2-one
SMILESO=C1CN(C(=O)c2ccc(OCCCN3CC4CCCC4C3)cc2)CCO1
InChIInChI=1S/C21H28N2O4/c24-20-15-23(10-12-27-20)21(25)16-5-7-19(8-6-16)26-11-2-9-22-13-17-3-1-4-18(17)14-22/h5-8,17-18H,1-4,9-15H2
InChIKeyGIIXEYQAHYYWSL-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.19
Rot. Bonds6

About 4-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzoyl]morpholin-2-one

4-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzoyl]morpholin-2-one (PubChem CID 175740761) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzoyl]morpholin-2-one.

Molecular Properties

Compound Name4-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzoyl]morpholin-2-one
PubChem CID175740761
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzoyl]morpholin-2-one
SMILESO=C1CN(C(=O)c2ccc(OCCCN3CC4CCCC4C3)cc2)CCO1
InChIInChI=1S/C21H28N2O4/c24-20-15-23(10-12-27-20)21(25)16-5-7-19(8-6-16)26-11-2-9-22-13-17-3-1-4-18(17)14-22/h5-8,17-18H,1-4,9-15H2
InChIKeyGIIXEYQAHYYWSL-UHFFFAOYSA-N
XLogP2.19
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-(azepan-1-yl)methanone
CID 69067342
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-(3-hydroxymorpholin-4-yl)methanone
CID 175740762
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 172723327
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 172740266
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 172785381
4-[3-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propoxy]benzenecarboximidamide
CID 151361349
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-phenylbenzamide
CID 69063215
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzaldehyde
CID 172730265
4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]-N-cyclopentyl-N-ethylbenzamide;oxalic acid
CID 69065089
[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]phenyl]methanamine
CID 115559167
4-[3-[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propoxy]benzonitrile
CID 71491125
[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10389448

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzoyl]morpholin-2-one?
The IUPAC name of 4-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzoyl]morpholin-2-one (CID 175740761) is 4-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzoyl]morpholin-2-one.
What is the SMILES notation for 4-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzoyl]morpholin-2-one?
The canonical SMILES for 4-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzoyl]morpholin-2-one is O=C1CN(C(=O)c2ccc(OCCCN3CC4CCCC4C3)cc2)CCO1.
What is the InChIKey of 4-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzoyl]morpholin-2-one?
The InChIKey is GIIXEYQAHYYWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c24-20-15-23(10-12-27-20)21(25)16-5-7-19(8-6-16)26-11-2-9-22-13-17-3-1-4-18(17)14-22/h5-8,17-18H,1-4,9-15H2.
What are the key properties of 4-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzoyl]morpholin-2-one?
4-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzoyl]morpholin-2-one has a molecular weight of 372.47 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propoxy]benzoyl]morpholin-2-one is sourced from PubChem (CID 175740761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).