(3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide

C20H30FN3O3S — CID 92687131

IUPAC(3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C20H30FN3O3S/c1-23(19-12-10-17(21)11-13-19)28(26,27)24-14-6-7-16(15-24)20(25)22-18-8-4-2-3-5-9-18/h10-13,16,18H,2-9,14-15H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyRZFXPEIHQWBMDR-MRXNPFEDSA-N
MW411.54 g/mol
LogP3.06
Rot. Bonds5

About (3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide

(3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide (PubChem CID 92687131) has the molecular formula C20H30FN3O3S and a molecular weight of 411.54 g/mol. Its IUPAC name is (3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
PubChem CID92687131
Molecular FormulaC20H30FN3O3S
Molecular Weight411.54 g/mol
Exact Mass411.20
IUPAC Name(3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
SMILESCN(c1ccc(F)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCC2)C1
InChIInChI=1S/C20H30FN3O3S/c1-23(19-12-10-17(21)11-13-19)28(26,27)24-14-6-7-16(15-24)20(25)22-18-8-4-2-3-5-9-18/h10-13,16,18H,2-9,14-15H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyRZFXPEIHQWBMDR-MRXNPFEDSA-N
XLogP3.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
CID 22552907
(3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
CID 92687132
N-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
CID 22552921
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
(3R)-N-cyclopentyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92686253
(3S)-N-cyclooctyl-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447237
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
(3R)-N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40961581
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide (CID 92687131) is (3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide is CN(c1ccc(F)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NC2CCCCCC2)C1.
What is the InChIKey of (3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide?
The InChIKey is RZFXPEIHQWBMDR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30FN3O3S/c1-23(19-12-10-17(21)11-13-19)28(26,27)24-14-6-7-16(15-24)20(25)22-18-8-4-2-3-5-9-18/h10-13,16,18H,2-9,14-15H2,1H3,(H,22,25)/t16-/m1/s1.
What are the key properties of (3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide?
(3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide has a molecular weight of 411.54 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide is sourced from PubChem (CID 92687131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).