[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone

C34H34N4O2 — CID 46879437

IUPAC[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(N2CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)CC1
InChIInChI=1S/C34H34N4O2/c39-33(28-14-8-3-9-15-28)37-18-16-30(17-19-37)36-20-22-38(23-21-36)34(40)29-24-31(26-10-4-1-5-11-26)35-32(25-29)27-12-6-2-7-13-27/h1-15,24-25,30H,16-23H2
InChIKeyPDSHNPZUYITTLP-UHFFFAOYSA-N
MW530.67 g/mol
LogP5.48
Rot. Bonds5

About [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone

[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 46879437) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone
PubChem CID46879437
Molecular FormulaC34H34N4O2
Molecular Weight530.67 g/mol
Exact Mass530.27
IUPAC Name[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(N2CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)CC1
InChIInChI=1S/C34H34N4O2/c39-33(28-14-8-3-9-15-28)37-18-16-30(17-19-37)36-20-22-38(23-21-36)34(40)29-24-31(26-10-4-1-5-11-26)35-32(25-29)27-12-6-2-7-13-27/h1-15,24-25,30H,16-23H2
InChIKeyPDSHNPZUYITTLP-UHFFFAOYSA-N
XLogP5.48
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone (CID 46879437) is [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(N2CCN(C(=O)c3cc(-c4ccccc4)nc(-c4ccccc4)c3)CC2)CC1.
What is the InChIKey of [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is PDSHNPZUYITTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O2/c39-33(28-14-8-3-9-15-28)37-18-16-30(17-19-37)36-20-22-38(23-21-36)34(40)29-24-31(26-10-4-1-5-11-26)35-32(25-29)27-12-6-2-7-13-27/h1-15,24-25,30H,16-23H2.
What are the key properties of [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone?
[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 530.67 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 46879437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).