N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-piperidin-1-ylacetamide

C19H29N3O3S — CID 3178241

IUPACN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-piperidin-1-ylacetamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)CN3CCCCC3)cc2)C1
InChIInChI=1S/C19H29N3O3S/c1-16-6-5-13-22(14-16)26(24,25)18-9-7-17(8-10-18)20-19(23)15-21-11-3-2-4-12-21/h7-10,16H,2-6,11-15H2,1H3,(H,20,23)
InChIKeyXZNIOEZQUAWVKZ-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.53
Rot. Bonds5

About N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-piperidin-1-ylacetamide

N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-piperidin-1-ylacetamide (PubChem CID 3178241) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-piperidin-1-ylacetamide
PubChem CID3178241
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-piperidin-1-ylacetamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)CN3CCCCC3)cc2)C1
InChIInChI=1S/C19H29N3O3S/c1-16-6-5-13-22(14-16)26(24,25)18-9-7-17(8-10-18)20-19(23)15-21-11-3-2-4-12-21/h7-10,16H,2-6,11-15H2,1H3,(H,20,23)
InChIKeyXZNIOEZQUAWVKZ-UHFFFAOYSA-N
XLogP2.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-piperidin-1-ylacetamide (CID 3178241) is N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-piperidin-1-ylacetamide is CC1CCCN(S(=O)(=O)c2ccc(NC(=O)CN3CCCCC3)cc2)C1.
What is the InChIKey of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-piperidin-1-ylacetamide?
The InChIKey is XZNIOEZQUAWVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-16-6-5-13-22(14-16)26(24,25)18-9-7-17(8-10-18)20-19(23)15-21-11-3-2-4-12-21/h7-10,16H,2-6,11-15H2,1H3,(H,20,23).
What are the key properties of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-piperidin-1-ylacetamide?
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-piperidin-1-ylacetamide has a molecular weight of 379.53 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 3178241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).