[4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone

C26H35N3O3 — CID 71461659

IUPAC[4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone
SMILESCN(C)[C@@H]1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2)C1
InChIInChI=1S/C26H35N3O3/c1-27(2)24-12-14-28(20-24)13-3-17-32-25-10-8-22(9-11-25)21-4-6-23(7-5-21)26(30)29-15-18-31-19-16-29/h4-11,24H,3,12-20H2,1-2H3/t24-/m1/s1
InChIKeyRPACETIDTVHRKQ-XMMPIXPASA-N
MW437.58 g/mol
LogP3.23
Rot. Bonds8

About [4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone

[4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 71461659) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is [4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone
PubChem CID71461659
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name[4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone
SMILESCN(C)[C@@H]1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2)C1
InChIInChI=1S/C26H35N3O3/c1-27(2)24-12-14-28(20-24)13-3-17-32-25-10-8-22(9-11-25)21-4-6-23(7-5-21)26(30)29-15-18-31-19-16-29/h4-11,24H,3,12-20H2,1-2H3/t24-/m1/s1
InChIKeyRPACETIDTVHRKQ-XMMPIXPASA-N
XLogP3.23
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of [4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone (CID 71461659) is [4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone is CN(C)[C@@H]1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2)C1.
What is the InChIKey of [4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is RPACETIDTVHRKQ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H35N3O3/c1-27(2)24-12-14-28(20-24)13-3-17-32-25-10-8-22(9-11-25)21-4-6-23(7-5-21)26(30)29-15-18-31-19-16-29/h4-11,24H,3,12-20H2,1-2H3/t24-/m1/s1.
What are the key properties of [4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone?
[4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 437.58 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]phenyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71461659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).