3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide

C22H36N4O3S — CID 94090809

IUPAC3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
SMILESCc1cccc(C(=O)N(CCN2CCCC[C@H]2C)CCS(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C22H36N4O3S/c1-19-6-5-8-21(18-19)22(27)25(15-14-24-11-4-3-7-20(24)2)16-17-30(28,29)26-12-9-23-10-13-26/h5-6,8,18,20,23H,3-4,7,9-17H2,1-2H3/t20-/m1/s1
InChIKeyCYFQYDXXAWNPBY-HXUWFJFHSA-N
MW436.62 g/mol
LogP1.55
Rot. Bonds8

About 3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide

3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide (PubChem CID 94090809) has the molecular formula C22H36N4O3S and a molecular weight of 436.62 g/mol. Its IUPAC name is 3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
PubChem CID94090809
Molecular FormulaC22H36N4O3S
Molecular Weight436.62 g/mol
Exact Mass436.25
IUPAC Name3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
SMILESCc1cccc(C(=O)N(CCN2CCCC[C@H]2C)CCS(=O)(=O)N2CCNCC2)c1
InChIInChI=1S/C22H36N4O3S/c1-19-6-5-8-21(18-19)22(27)25(15-14-24-11-4-3-7-20(24)2)16-17-30(28,29)26-12-9-23-10-13-26/h5-6,8,18,20,23H,3-4,7,9-17H2,1-2H3/t20-/m1/s1
InChIKeyCYFQYDXXAWNPBY-HXUWFJFHSA-N
XLogP1.55
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061683
3-methyl-N-(2-piperazin-1-ylsulfonylethyl)-N-propan-2-ylbenzamide
CID 50819223
N-ethyl-3-methyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146061588
3-bromo-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779638
3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779591
4-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 92503869
1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62629678
4-bromo-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 93057932
1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43794417
N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50820941
3-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146056759
N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(3-oxo-3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide
CID 93057955

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The IUPAC name of 3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide (CID 94090809) is 3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide.
What is the SMILES notation for 3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The canonical SMILES for 3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide is Cc1cccc(C(=O)N(CCN2CCCC[C@H]2C)CCS(=O)(=O)N2CCNCC2)c1.
What is the InChIKey of 3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
The InChIKey is CYFQYDXXAWNPBY-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H36N4O3S/c1-19-6-5-8-21(18-19)22(27)25(15-14-24-11-4-3-7-20(24)2)16-17-30(28,29)26-12-9-23-10-13-26/h5-6,8,18,20,23H,3-4,7,9-17H2,1-2H3/t20-/m1/s1.
What are the key properties of 3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide?
3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide has a molecular weight of 436.62 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide is sourced from PubChem (CID 94090809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).