[6-[4-(2-morpholin-4-ylethyl)phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone

C25H34N2O3 — CID 69112949

IUPAC[6-[4-(2-morpholin-4-ylethyl)phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CC2=CCC(c3ccc(CCN4CCOCC4)cc3)C2C1
InChIInChI=1S/C25H34N2O3/c28-25(21-8-13-29-14-9-21)27-17-22-5-6-23(24(22)18-27)20-3-1-19(2-4-20)7-10-26-11-15-30-16-12-26/h1-5,21,23-24H,6-18H2
InChIKeyBXKSONCMAXIECC-UHFFFAOYSA-N
MW410.56 g/mol
LogP2.86
Rot. Bonds5

About [6-[4-(2-morpholin-4-ylethyl)phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone

[6-[4-(2-morpholin-4-ylethyl)phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone (PubChem CID 69112949) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is [6-[4-(2-morpholin-4-ylethyl)phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[6-[4-(2-morpholin-4-ylethyl)phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone
PubChem CID69112949
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name[6-[4-(2-morpholin-4-ylethyl)phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CC2=CCC(c3ccc(CCN4CCOCC4)cc3)C2C1
InChIInChI=1S/C25H34N2O3/c28-25(21-8-13-29-14-9-21)27-17-22-5-6-23(24(22)18-27)20-3-1-19(2-4-20)7-10-26-11-15-30-16-12-26/h1-5,21,23-24H,6-18H2
InChIKeyBXKSONCMAXIECC-UHFFFAOYSA-N
XLogP2.86
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(6R,6aR)-6-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-cyclopropylmethanone
CID 69129295
[(3aR,4R,6aS)-4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone
CID 69113733
oxolan-3-yl-[4-[4-(2-pyrrolidin-1-ylethyl)phenyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone
CID 71197290
2-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798857
[(3aR,4R,6aS)-4-[4-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone
CID 71197253
2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 120798942
4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide
CID 91911366
oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
[4-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3,3a,4,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone
CID 24966407
2-(cyclopropylmethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride
CID 119860951
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
N-methyl-4-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 71133573

Frequently Asked Questions

What is the IUPAC name of [6-[4-(2-morpholin-4-ylethyl)phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone?
The IUPAC name of [6-[4-(2-morpholin-4-ylethyl)phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone (CID 69112949) is [6-[4-(2-morpholin-4-ylethyl)phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [6-[4-(2-morpholin-4-ylethyl)phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [6-[4-(2-morpholin-4-ylethyl)phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CC2=CCC(c3ccc(CCN4CCOCC4)cc3)C2C1.
What is the InChIKey of [6-[4-(2-morpholin-4-ylethyl)phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone?
The InChIKey is BXKSONCMAXIECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c28-25(21-8-13-29-14-9-21)27-17-22-5-6-23(24(22)18-27)20-3-1-19(2-4-20)7-10-26-11-15-30-16-12-26/h1-5,21,23-24H,6-18H2.
What are the key properties of [6-[4-(2-morpholin-4-ylethyl)phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone?
[6-[4-(2-morpholin-4-ylethyl)phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone has a molecular weight of 410.56 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(2-morpholin-4-ylethyl)phenyl]-3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 69112949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).