1-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C16H24N2O4S — CID 5211462

IUPAC1-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H24N2O4S/c1-3-23(20,21)18-10-8-14(9-11-18)16(19)17-12-13-4-6-15(22-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyICMQUYDKVXWZOO-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.37
Rot. Bonds6

About 1-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 5211462) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID5211462
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name1-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(OC)cc2)CC1
InChIInChI=1S/C16H24N2O4S/c1-3-23(20,21)18-10-8-14(9-11-18)16(19)17-12-13-4-6-15(22-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyICMQUYDKVXWZOO-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-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 5211462) is 1-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(OC)cc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is ICMQUYDKVXWZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-23(20,21)18-10-8-14(9-11-18)16(19)17-12-13-4-6-15(22-2)7-5-13/h4-7,14H,3,8-12H2,1-2H3,(H,17,19).
What are the key properties of 1-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]piperidine-4-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-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 5211462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).