1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide

C21H31N3O4S — CID 55683159

IUPAC1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCCN(C(=O)C3CC3)C2)ccc1C
InChIInChI=1S/C21H31N3O4S/c1-4-24(5-2)29(27,28)19-13-18(11-8-15(19)3)22-20(25)17-7-6-12-23(14-17)21(26)16-9-10-16/h8,11,13,16-17H,4-7,9-10,12,14H2,1-3H3,(H,22,25)
InChIKeyFXXKEGPNMXNILE-UHFFFAOYSA-N
MW421.56 g/mol
LogP2.61
Rot. Bonds7

About 1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide (PubChem CID 55683159) has the molecular formula C21H31N3O4S and a molecular weight of 421.56 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
PubChem CID55683159
Molecular FormulaC21H31N3O4S
Molecular Weight421.56 g/mol
Exact Mass421.20
IUPAC Name1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCCN(C(=O)C3CC3)C2)ccc1C
InChIInChI=1S/C21H31N3O4S/c1-4-24(5-2)29(27,28)19-13-18(11-8-15(19)3)22-20(25)17-7-6-12-23(14-17)21(26)16-9-10-16/h8,11,13,16-17H,4-7,9-10,12,14H2,1-3H3,(H,22,25)
InChIKeyFXXKEGPNMXNILE-UHFFFAOYSA-N
XLogP2.61
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 94197165
1-(cyclopropanecarbonyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 55683607
N-[3-(diethylsulfamoyl)-4-methylphenyl]oxane-4-carboxamide
CID 31973095
N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide;hydrochloride
CID 119263634
N-[3-(diethylsulfamoyl)-4-methylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 46586044
(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 9074203
N-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamothioyl]cyclopentanecarboxamide
CID 3667035
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55605664
ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42948173
(3R)-N-[4-chloro-3-[ethyl(propan-2-yl)carbamoyl]phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 124888658
1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 55685452
N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 119465895

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide (CID 55683159) is 1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCCN(C(=O)C3CC3)C2)ccc1C.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide?
The InChIKey is FXXKEGPNMXNILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4S/c1-4-24(5-2)29(27,28)19-13-18(11-8-15(19)3)22-20(25)17-7-6-12-23(14-17)21(26)16-9-10-16/h8,11,13,16-17H,4-7,9-10,12,14H2,1-3H3,(H,22,25).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide has a molecular weight of 421.56 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55683159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).