N-(1-benzylpiperidin-4-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine

C22H30N4O2S — CID 4783952

IUPACN-(1-benzylpiperidin-4-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NC2CCN(Cc3ccccc3)CC2)nc1)N1CCCCC1
InChIInChI=1S/C22H30N4O2S/c27-29(28,26-13-5-2-6-14-26)21-9-10-22(23-17-21)24-20-11-15-25(16-12-20)18-19-7-3-1-4-8-19/h1,3-4,7-10,17,20H,2,5-6,11-16,18H2,(H,23,24)
InChIKeySCCJDKSWYPWZJQ-UHFFFAOYSA-N
MW414.58 g/mol
LogP3.33
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine

N-(1-benzylpiperidin-4-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine (PubChem CID 4783952) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine
PubChem CID4783952
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NC2CCN(Cc3ccccc3)CC2)nc1)N1CCCCC1
InChIInChI=1S/C22H30N4O2S/c27-29(28,26-13-5-2-6-14-26)21-9-10-22(23-17-21)24-20-11-15-25(16-12-20)18-19-7-3-1-4-8-19/h1,3-4,7-10,17,20H,2,5-6,11-16,18H2,(H,23,24)
InChIKeySCCJDKSWYPWZJQ-UHFFFAOYSA-N
XLogP3.33
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpiperidin-4-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine (CID 4783952) is N-(1-benzylpiperidin-4-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NC2CCN(Cc3ccccc3)CC2)nc1)N1CCCCC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is SCCJDKSWYPWZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c27-29(28,26-13-5-2-6-14-26)21-9-10-22(23-17-21)24-20-11-15-25(16-12-20)18-19-7-3-1-4-8-19/h1,3-4,7-10,17,20H,2,5-6,11-16,18H2,(H,23,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine?
N-(1-benzylpiperidin-4-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 414.58 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-5-piperidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 4783952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).