1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[naphthalen-1-ylsulfonyl(piperidin-2-yl)methoxy]ethanone

C30H36N2O5S — CID 69319938

IUPAC1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[naphthalen-1-ylsulfonyl(piperidin-2-yl)methoxy]ethanone
SMILESO=C(COC(C1CCCCN1)S(=O)(=O)c1cccc2ccccc12)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C30H36N2O5S/c33-28(32-19-16-30(34,17-20-32)21-23-9-2-1-3-10-23)22-37-29(26-14-6-7-18-31-26)38(35,36)27-15-8-12-24-11-4-5-13-25(24)27/h1-5,8-13,15,26,29,31,34H,6-7,14,16-22H2
InChIKeyDYMXIBFBTLBFDB-UHFFFAOYSA-N
MW536.69 g/mol
LogP3.69
Rot. Bonds8

About 1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[naphthalen-1-ylsulfonyl(piperidin-2-yl)methoxy]ethanone

1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[naphthalen-1-ylsulfonyl(piperidin-2-yl)methoxy]ethanone (PubChem CID 69319938) has the molecular formula C30H36N2O5S and a molecular weight of 536.69 g/mol. Its IUPAC name is 1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[naphthalen-1-ylsulfonyl(piperidin-2-yl)methoxy]ethanone.

Molecular Properties

Compound Name1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[naphthalen-1-ylsulfonyl(piperidin-2-yl)methoxy]ethanone
PubChem CID69319938
Molecular FormulaC30H36N2O5S
Molecular Weight536.69 g/mol
Exact Mass536.23
IUPAC Name1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[naphthalen-1-ylsulfonyl(piperidin-2-yl)methoxy]ethanone
SMILESO=C(COC(C1CCCCN1)S(=O)(=O)c1cccc2ccccc12)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C30H36N2O5S/c33-28(32-19-16-30(34,17-20-32)21-23-9-2-1-3-10-23)22-37-29(26-14-6-7-18-31-26)38(35,36)27-15-8-12-24-11-4-5-13-25(24)27/h1-5,8-13,15,26,29,31,34H,6-7,14,16-22H2
InChIKeyDYMXIBFBTLBFDB-UHFFFAOYSA-N
XLogP3.69
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.69
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[naphthalen-1-ylsulfonyl(piperidin-2-yl)methoxy]ethanone 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 1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[naphthalen-1-ylsulfonyl(piperidin-2-yl)methoxy]ethanone?
The IUPAC name of 1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[naphthalen-1-ylsulfonyl(piperidin-2-yl)methoxy]ethanone (CID 69319938) is 1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[naphthalen-1-ylsulfonyl(piperidin-2-yl)methoxy]ethanone.
What is the SMILES notation for 1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[naphthalen-1-ylsulfonyl(piperidin-2-yl)methoxy]ethanone?
The canonical SMILES for 1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[naphthalen-1-ylsulfonyl(piperidin-2-yl)methoxy]ethanone is O=C(COC(C1CCCCN1)S(=O)(=O)c1cccc2ccccc12)N1CCC(O)(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[naphthalen-1-ylsulfonyl(piperidin-2-yl)methoxy]ethanone?
The InChIKey is DYMXIBFBTLBFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O5S/c33-28(32-19-16-30(34,17-20-32)21-23-9-2-1-3-10-23)22-37-29(26-14-6-7-18-31-26)38(35,36)27-15-8-12-24-11-4-5-13-25(24)27/h1-5,8-13,15,26,29,31,34H,6-7,14,16-22H2.
What are the key properties of 1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[naphthalen-1-ylsulfonyl(piperidin-2-yl)methoxy]ethanone?
1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[naphthalen-1-ylsulfonyl(piperidin-2-yl)methoxy]ethanone has a molecular weight of 536.69 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-4-hydroxypiperidin-1-yl)-2-[naphthalen-1-ylsulfonyl(piperidin-2-yl)methoxy]ethanone is sourced from PubChem (CID 69319938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).