4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide

C22H28N4O3S — CID 24538191

IUPAC4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H28N4O3S/c27-22(24-21-9-3-4-12-23-21)18-10-11-19(25-13-5-1-6-14-25)20(17-18)30(28,29)26-15-7-2-8-16-26/h3-4,9-12,17H,1-2,5-8,13-16H2,(H,23,24,27)
InChIKeyNFOOKBAUGVZHEL-UHFFFAOYSA-N
MW428.56 g/mol
LogP3.50
Rot. Bonds5

About 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide

4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide (PubChem CID 24538191) has the molecular formula C22H28N4O3S and a molecular weight of 428.56 g/mol. Its IUPAC name is 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide
PubChem CID24538191
Molecular FormulaC22H28N4O3S
Molecular Weight428.56 g/mol
Exact Mass428.19
IUPAC Name4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H28N4O3S/c27-22(24-21-9-3-4-12-23-21)18-10-11-19(25-13-5-1-6-14-25)20(17-18)30(28,29)26-15-7-2-8-16-26/h3-4,9-12,17H,1-2,5-8,13-16H2,(H,23,24,27)
InChIKeyNFOOKBAUGVZHEL-UHFFFAOYSA-N
XLogP3.50
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.56
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-phenylpyrazol-3-yl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55547682
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-quinolin-6-ylbenzamide
CID 55784082
N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55451008
N-(2-ethoxyphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27873551
N-(3-chlorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349213
N-(3-acetylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 34832529
methyl 2-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 46349228
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide
CID 38819154
N-(3-acetamido-2-methylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 24673353
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269
N-cyclopentyl-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46349079
N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27005624

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide (CID 24538191) is 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide?
The InChIKey is NFOOKBAUGVZHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S/c27-22(24-21-9-3-4-12-23-21)18-10-11-19(25-13-5-1-6-14-25)20(17-18)30(28,29)26-15-7-2-8-16-26/h3-4,9-12,17H,1-2,5-8,13-16H2,(H,23,24,27).
What are the key properties of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide?
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide has a molecular weight of 428.56 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 24538191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).