1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide

C16H24N2O4S — CID 3236733

IUPAC1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCc2cccc(OC)c2)C1
InChIInChI=1S/C16H24N2O4S/c1-3-23(20,21)18-9-5-7-14(12-18)16(19)17-11-13-6-4-8-15(10-13)22-2/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3,(H,17,19)
InChIKeyPUPNEYNZGFXYCU-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.37
Rot. Bonds6

About 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide

1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 3236733) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID3236733
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCCC(C(=O)NCc2cccc(OC)c2)C1
InChIInChI=1S/C16H24N2O4S/c1-3-23(20,21)18-9-5-7-14(12-18)16(19)17-11-13-6-4-8-15(10-13)22-2/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3,(H,17,19)
InChIKeyPUPNEYNZGFXYCU-UHFFFAOYSA-N
XLogP1.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 3236733) is 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide is CCS(=O)(=O)N1CCCC(C(=O)NCc2cccc(OC)c2)C1.
What is the InChIKey of 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is PUPNEYNZGFXYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-23(20,21)18-9-5-7-14(12-18)16(19)17-11-13-6-4-8-15(10-13)22-2/h4,6,8,10,14H,3,5,7,9,11-12H2,1-2H3,(H,17,19).
What are the key properties of 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide?
1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 340.44 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 3236733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).