N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

C17H25N3O4S — CID 3245094

IUPACN-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H25N3O4S/c21-17(18-14-15-4-2-1-3-5-15)16-6-8-19(9-7-16)25(22,23)20-10-12-24-13-11-20/h1-5,16H,6-14H2,(H,18,21)
InChIKeyJMRIPTBITXGCHX-UHFFFAOYSA-N
MW367.47 g/mol
LogP0.59
Rot. Bonds5

About N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3245094) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
PubChem CID3245094
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H25N3O4S/c21-17(18-14-15-4-2-1-3-5-15)16-6-8-19(9-7-16)25(22,23)20-10-12-24-13-11-20/h1-5,16H,6-14H2,(H,18,21)
InChIKeyJMRIPTBITXGCHX-UHFFFAOYSA-N
XLogP0.59
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (CID 3245094) is N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is JMRIPTBITXGCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S/c21-17(18-14-15-4-2-1-3-5-15)16-6-8-19(9-7-16)25(22,23)20-10-12-24-13-11-20/h1-5,16H,6-14H2,(H,18,21).
What are the key properties of N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3245094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).