(2,6-diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone

C32H37N5O3 — CID 46879435

IUPAC(2,6-diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCN(C2CCN(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C32H37N5O3/c38-31(27-23-29(25-7-3-1-4-8-25)33-30(24-27)26-9-5-2-6-10-26)35-17-15-34(16-18-35)28-11-13-36(14-12-28)32(39)37-19-21-40-22-20-37/h1-10,23-24,28H,11-22H2
InChIKeyCBRSMMQFHKCNKQ-UHFFFAOYSA-N
MW539.68 g/mol
LogP4.09
Rot. Bonds4

About (2,6-diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone

(2,6-diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone (PubChem CID 46879435) has the molecular formula C32H37N5O3 and a molecular weight of 539.68 g/mol. Its IUPAC name is (2,6-diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone
PubChem CID46879435
Molecular FormulaC32H37N5O3
Molecular Weight539.68 g/mol
Exact Mass539.29
IUPAC Name(2,6-diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCN(C2CCN(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C32H37N5O3/c38-31(27-23-29(25-7-3-1-4-8-25)33-30(24-27)26-9-5-2-6-10-26)35-17-15-34(16-18-35)28-11-13-36(14-12-28)32(39)37-19-21-40-22-20-37/h1-10,23-24,28H,11-22H2
InChIKeyCBRSMMQFHKCNKQ-UHFFFAOYSA-N
XLogP4.09
TPSA69.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.68
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,6-diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone (CID 46879435) is (2,6-diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,6-diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone is O=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCN(C2CCN(C(=O)N3CCOCC3)CC2)CC1.
What is the InChIKey of (2,6-diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is CBRSMMQFHKCNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O3/c38-31(27-23-29(25-7-3-1-4-8-25)33-30(24-27)26-9-5-2-6-10-26)35-17-15-34(16-18-35)28-11-13-36(14-12-28)32(39)37-19-21-40-22-20-37/h1-10,23-24,28H,11-22H2.
What are the key properties of (2,6-diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone?
(2,6-diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 539.68 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 46879435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).