6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide

C25H30N4O5S — CID 123912499

IUPAC6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCNCC4)cn3)CC2)cc1
InChIInChI=1S/C25H30N4O5S/c1-35(33,34)21-5-2-17(3-6-21)23(30)18-10-14-29(15-11-18)25(32)22-7-4-19(16-27-22)24(31)28-20-8-12-26-13-9-20/h2-7,16,18,20,26H,8-15H2,1H3,(H,28,31)
InChIKeyNLTKMKUJKCIXCN-UHFFFAOYSA-N
MW498.61 g/mol
LogP1.70
Rot. Bonds6

About 6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide

6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide (PubChem CID 123912499) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide
PubChem CID123912499
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCNCC4)cn3)CC2)cc1
InChIInChI=1S/C25H30N4O5S/c1-35(33,34)21-5-2-17(3-6-21)23(30)18-10-14-29(15-11-18)25(32)22-7-4-19(16-27-22)24(31)28-20-8-12-26-13-9-20/h2-7,16,18,20,26H,8-15H2,1H3,(H,28,31)
InChIKeyNLTKMKUJKCIXCN-UHFFFAOYSA-N
XLogP1.70
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide (CID 123912499) is 6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide is CS(=O)(=O)c1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)NC4CCNCC4)cn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide?
The InChIKey is NLTKMKUJKCIXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-35(33,34)21-5-2-17(3-6-21)23(30)18-10-14-29(15-11-18)25(32)22-7-4-19(16-27-22)24(31)28-20-8-12-26-13-9-20/h2-7,16,18,20,26H,8-15H2,1H3,(H,28,31).
What are the key properties of 6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide?
6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide has a molecular weight of 498.61 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylsulfonylbenzoyl)piperidine-1-carbonyl]-N-piperidin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 123912499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).