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

C32H36N4O2 — CID 24993698

IUPAC(2,6-diphenyl-4-pyridinyl)-[4-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperazin-1-yl]methanone
SMILESCC1(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1
InChIInChI=1S/C32H36N4O2/c1-32(14-15-32)31(38)36-16-12-27(13-17-36)34-18-20-35(21-19-34)30(37)26-22-28(24-8-4-2-5-9-24)33-29(23-26)25-10-6-3-7-11-25/h2-11,22-23,27H,12-21H2,1H3
InChIKeyFRGUGEWINNSPJL-UHFFFAOYSA-N
MW508.67 g/mol
LogP4.96
Rot. Bonds5

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

(2,6-diphenyl-4-pyridinyl)-[4-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperazin-1-yl]methanone (PubChem CID 24993698) has the molecular formula C32H36N4O2 and a molecular weight of 508.67 g/mol. Its IUPAC name is (2,6-diphenyl-4-pyridinyl)-[4-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-diphenyl-4-pyridinyl)-[4-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperazin-1-yl]methanone
PubChem CID24993698
Molecular FormulaC32H36N4O2
Molecular Weight508.67 g/mol
Exact Mass508.28
IUPAC Name(2,6-diphenyl-4-pyridinyl)-[4-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperazin-1-yl]methanone
SMILESCC1(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1
InChIInChI=1S/C32H36N4O2/c1-32(14-15-32)31(38)36-16-12-27(13-17-36)34-18-20-35(21-19-34)30(37)26-22-28(24-8-4-2-5-9-24)33-29(23-26)25-10-6-3-7-11-25/h2-11,22-23,27H,12-21H2,1H3
InChIKeyFRGUGEWINNSPJL-UHFFFAOYSA-N
XLogP4.96
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.67
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,6-diphenyl-4-pyridinyl)-[4-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(1-methylcyclopropyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136514881
1-[4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]piperazin-1-yl]-3-methylbutan-1-one
CID 23589117
[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 23589141
[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 23589138
4-[(3R)-1-[1-(2,6-diphenylpyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carbonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 90850687
(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 55584701
(4-cyclopropylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 35280934
2-cyclopropyl-1-[3-[4-[4-(1-methylcyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]ethanone
CID 161221422
oxalic acid;(4-phenylphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 17369365
[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 46704929
[4-[4-(isoquinolin-8-ylmethyl)azepane-1-carbonyl]-4-methylpiperidin-1-yl]-phenylmethanone
CID 132767826
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63188677

Frequently Asked Questions

What is the IUPAC name of (2,6-diphenyl-4-pyridinyl)-[4-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,6-diphenyl-4-pyridinyl)-[4-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperazin-1-yl]methanone (CID 24993698) is (2,6-diphenyl-4-pyridinyl)-[4-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-diphenyl-4-pyridinyl)-[4-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,6-diphenyl-4-pyridinyl)-[4-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperazin-1-yl]methanone is CC1(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1.
What is the InChIKey of (2,6-diphenyl-4-pyridinyl)-[4-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is FRGUGEWINNSPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O2/c1-32(14-15-32)31(38)36-16-12-27(13-17-36)34-18-20-35(21-19-34)30(37)26-22-28(24-8-4-2-5-9-24)33-29(23-26)25-10-6-3-7-11-25/h2-11,22-23,27H,12-21H2,1H3.
What are the key properties of (2,6-diphenyl-4-pyridinyl)-[4-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperazin-1-yl]methanone?
(2,6-diphenyl-4-pyridinyl)-[4-[1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 508.67 g/mol, XLogP of 4.96, 5 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-(1-methylcyclopropanecarbonyl)piperidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 24993698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).