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

C33H39N5O2 — CID 46879436

IUPAC(2,6-diphenyl-4-pyridinyl)-[4-[1-(piperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCN(C2CCN(C(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C33H39N5O2/c39-32(28-24-30(26-10-4-1-5-11-26)34-31(25-28)27-12-6-2-7-13-27)36-22-20-35(21-23-36)29-14-18-38(19-15-29)33(40)37-16-8-3-9-17-37/h1-2,4-7,10-13,24-25,29H,3,8-9,14-23H2
InChIKeyZANOQPOBUMZHRD-UHFFFAOYSA-N
MW537.71 g/mol
LogP5.24
Rot. Bonds4

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

(2,6-diphenyl-4-pyridinyl)-[4-[1-(piperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone (PubChem CID 46879436) has the molecular formula C33H39N5O2 and a molecular weight of 537.71 g/mol. Its IUPAC name is (2,6-diphenyl-4-pyridinyl)-[4-[1-(piperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-diphenyl-4-pyridinyl)-[4-[1-(piperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone
PubChem CID46879436
Molecular FormulaC33H39N5O2
Molecular Weight537.71 g/mol
Exact Mass537.31
IUPAC Name(2,6-diphenyl-4-pyridinyl)-[4-[1-(piperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCN(C2CCN(C(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C33H39N5O2/c39-32(28-24-30(26-10-4-1-5-11-26)34-31(25-28)27-12-6-2-7-13-27)36-22-20-35(21-23-36)29-14-18-38(19-15-29)33(40)37-16-8-3-9-17-37/h1-2,4-7,10-13,24-25,29H,3,8-9,14-23H2
InChIKeyZANOQPOBUMZHRD-UHFFFAOYSA-N
XLogP5.24
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.71
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-diphenyl-4-pyridinyl)-[4-[1-(piperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,6-diphenyl-4-pyridinyl)-[4-[1-(piperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone (CID 46879436) is (2,6-diphenyl-4-pyridinyl)-[4-[1-(piperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-diphenyl-4-pyridinyl)-[4-[1-(piperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,6-diphenyl-4-pyridinyl)-[4-[1-(piperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone is O=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCN(C2CCN(C(=O)N3CCCCC3)CC2)CC1.
What is the InChIKey of (2,6-diphenyl-4-pyridinyl)-[4-[1-(piperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is ZANOQPOBUMZHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O2/c39-32(28-24-30(26-10-4-1-5-11-26)34-31(25-28)27-12-6-2-7-13-27)36-22-20-35(21-23-36)29-14-18-38(19-15-29)33(40)37-16-8-3-9-17-37/h1-2,4-7,10-13,24-25,29H,3,8-9,14-23H2.
What are the key properties of (2,6-diphenyl-4-pyridinyl)-[4-[1-(piperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone?
(2,6-diphenyl-4-pyridinyl)-[4-[1-(piperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 537.71 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diphenyl-4-pyridinyl)-[4-[1-(piperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 46879436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).