N-[2-(4-chlorophenyl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

C18H26ClN3O4S — CID 4064386

IUPACN-[2-(4-chlorophenyl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H26ClN3O4S/c19-17-3-1-15(2-4-17)5-8-20-18(23)16-6-9-21(10-7-16)27(24,25)22-11-13-26-14-12-22/h1-4,16H,5-14H2,(H,20,23)
InChIKeyCAOSFVQJQGFSGL-UHFFFAOYSA-N
MW415.94 g/mol
LogP1.29
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (PubChem CID 4064386) has the molecular formula C18H26ClN3O4S and a molecular weight of 415.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
PubChem CID4064386
Molecular FormulaC18H26ClN3O4S
Molecular Weight415.94 g/mol
Exact Mass415.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H26ClN3O4S/c19-17-3-1-15(2-4-17)5-8-20-18(23)16-6-9-21(10-7-16)27(24,25)22-11-13-26-14-12-22/h1-4,16H,5-14H2,(H,20,23)
InChIKeyCAOSFVQJQGFSGL-UHFFFAOYSA-N
XLogP1.29
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.94
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide (CID 4064386) is N-[2-(4-chlorophenyl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is CAOSFVQJQGFSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O4S/c19-17-3-1-15(2-4-17)5-8-20-18(23)16-6-9-21(10-7-16)27(24,25)22-11-13-26-14-12-22/h1-4,16H,5-14H2,(H,20,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 415.94 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4064386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).