N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide

C19H28N2O4S — CID 3218799

IUPACN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-25-17-7-9-18(10-8-17)26(23,24)21-13-11-16(12-14-21)20-19(22)15-5-3-2-4-6-15/h7-10,15-16H,2-6,11-14H2,1H3,(H,20,22)
InChIKeyFIXMCKHFAUBEKQ-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.54
Rot. Bonds5

About N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide

N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide (PubChem CID 3218799) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
PubChem CID3218799
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H28N2O4S/c1-25-17-7-9-18(10-8-17)26(23,24)21-13-11-16(12-14-21)20-19(22)15-5-3-2-4-6-15/h7-10,15-16H,2-6,11-14H2,1H3,(H,20,22)
InChIKeyFIXMCKHFAUBEKQ-UHFFFAOYSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide (CID 3218799) is N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide is COc1ccc(S(=O)(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is FIXMCKHFAUBEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-25-17-7-9-18(10-8-17)26(23,24)21-13-11-16(12-14-21)20-19(22)15-5-3-2-4-6-15/h7-10,15-16H,2-6,11-14H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide?
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 380.51 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 3218799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).