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

C34H41N5O4S — CID 46879507

IUPAC[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1
InChIInChI=1S/C34H41N5O4S/c1-44(42,43)39-18-12-28(13-19-39)33(40)37-16-14-30(15-17-37)36-20-22-38(23-21-36)34(41)29-24-31(26-8-4-2-5-9-26)35-32(25-29)27-10-6-3-7-11-27/h2-11,24-25,28,30H,12-23H2,1H3
InChIKeySLWDZHJMCIJUNX-UHFFFAOYSA-N
MW615.80 g/mol
LogP3.84
Rot. Bonds6

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

[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 46879507) has the molecular formula C34H41N5O4S and a molecular weight of 615.80 g/mol. Its IUPAC name is [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID46879507
Molecular FormulaC34H41N5O4S
Molecular Weight615.80 g/mol
Exact Mass615.29
IUPAC Name[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1
InChIInChI=1S/C34H41N5O4S/c1-44(42,43)39-18-12-28(13-19-39)33(40)37-16-14-30(15-17-37)36-20-22-38(23-21-36)34(41)29-24-31(26-8-4-2-5-9-26)35-32(25-29)27-10-6-3-7-11-27/h2-11,24-25,28,30H,12-23H2,1H3
InChIKeySLWDZHJMCIJUNX-UHFFFAOYSA-N
XLogP3.84
TPSA94.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.80
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone with MolForge

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Related Compounds

1-[4-[4-[4-(2,6-Diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 24992397
1-(4-(4-(4-(2,6-Dip-tolylisonicotinoyl)piperazin-1-yl)piperidine-1-carbonyl)piperidin-1-yl)ethanone
CID 45375926
(2,6-Diphenyl-4-pyridinyl)-[4-[1-(morpholine-4-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone
CID 46879435
(2,6-Diphenyl-4-pyridinyl)-[4-[1-(piperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]methanone
CID 46879436
[4-[4-(2,6-Diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-phenylmethanone
CID 46879437
Cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 46879495
[4-[4-(2,6-Diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-(4-methoxycyclohexyl)methanone
CID 46879497
1-[4-[4-[4-(2,6-Diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 46879498
(1-Benzoylpiperidin-4-yl)-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 46879499
1-[4-[4-[4-(2,6-Diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 46879500
1-[4-[4-[4-(2,6-Diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]-2-hydroxyethanone
CID 46879501
Methyl 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 46879502

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (CID 46879507) is [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is CS(=O)(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1.
What is the InChIKey of [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is SLWDZHJMCIJUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N5O4S/c1-44(42,43)39-18-12-28(13-19-39)33(40)37-16-14-30(15-17-37)36-20-22-38(23-21-36)34(41)29-24-31(26-8-4-2-5-9-26)35-32(25-29)27-10-6-3-7-11-27/h2-11,24-25,28,30H,12-23H2,1H3.
What are the key properties of [4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 615.80 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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]-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 46879507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).