[3-(diethylamino)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone

C26H36N4O2 — CID 24790439

IUPAC[3-(diethylamino)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1
InChIInChI=1S/C26H36N4O2/c1-3-29(4-2)23-12-18-30(20-23)26(31)21-8-10-24(11-9-21)32-25-13-16-28(17-14-25)19-22-7-5-6-15-27-22/h5-11,15,23,25H,3-4,12-14,16-20H2,1-2H3
InChIKeyGCAWPDFFMKKBCR-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.68
Rot. Bonds8

About [3-(diethylamino)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone

[3-(diethylamino)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone (PubChem CID 24790439) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is [3-(diethylamino)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name[3-(diethylamino)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
PubChem CID24790439
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name[3-(diethylamino)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1
InChIInChI=1S/C26H36N4O2/c1-3-29(4-2)23-12-18-30(20-23)26(31)21-8-10-24(11-9-21)32-25-13-16-28(17-14-25)19-22-7-5-6-15-27-22/h5-11,15,23,25H,3-4,12-14,16-20H2,1-2H3
InChIKeyGCAWPDFFMKKBCR-UHFFFAOYSA-N
XLogP3.68
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone (CID 24790439) is [3-(diethylamino)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone.
What is the SMILES notation for [3-(diethylamino)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The canonical SMILES for [3-(diethylamino)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone is CCN(CC)C1CCN(C(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)C1.
What is the InChIKey of [3-(diethylamino)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
The InChIKey is GCAWPDFFMKKBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-3-29(4-2)23-12-18-30(20-23)26(31)21-8-10-24(11-9-21)32-25-13-16-28(17-14-25)19-22-7-5-6-15-27-22/h5-11,15,23,25H,3-4,12-14,16-20H2,1-2H3.
What are the key properties of [3-(diethylamino)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone?
[3-(diethylamino)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone has a molecular weight of 436.60 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone is sourced from PubChem (CID 24790439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).