N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

C22H30N2O4S — CID 16547474

IUPACN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)C3CC4CCCC(C3)C4=O)cc2)C1
InChIInChI=1S/C22H30N2O4S/c1-15-4-3-11-24(14-15)29(27,28)20-9-7-19(8-10-20)23-22(26)18-12-16-5-2-6-17(13-18)21(16)25/h7-10,15-18H,2-6,11-14H2,1H3,(H,23,26)
InChIKeyPTOZEVLTZPMHNE-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.44
Rot. Bonds4

About N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 16547474) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID16547474
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(NC(=O)C3CC4CCCC(C3)C4=O)cc2)C1
InChIInChI=1S/C22H30N2O4S/c1-15-4-3-11-24(14-15)29(27,28)20-9-7-19(8-10-20)23-22(26)18-12-16-5-2-6-17(13-18)21(16)25/h7-10,15-18H,2-6,11-14H2,1H3,(H,23,26)
InChIKeyPTOZEVLTZPMHNE-UHFFFAOYSA-N
XLogP3.44
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 46797295
trans-(1S,2S)-2-methyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]cyclopropane-1-carboxamide
CID 99860038
2-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 17218057
N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743584
N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]acetamide
CID 743581
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]cyclobutanecarboxamide
CID 7921879
1-N,1-N-dimethyl-4-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]piperidine-1,4-dicarboxamide
CID 94858116
1-butyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17082688
(1R,5R)-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 98664489
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 42959127
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
2-[4-(3-methylpiperidin-1-yl)sulfonylanilino]ethene-1,1,2-tricarbonitrile
CID 168609162

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide (CID 16547474) is N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is CC1CCCN(S(=O)(=O)c2ccc(NC(=O)C3CC4CCCC(C3)C4=O)cc2)C1.
What is the InChIKey of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is PTOZEVLTZPMHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-15-4-3-11-24(14-15)29(27,28)20-9-7-19(8-10-20)23-22(26)18-12-16-5-2-6-17(13-18)21(16)25/h7-10,15-18H,2-6,11-14H2,1H3,(H,23,26).
What are the key properties of N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide?
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 418.56 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 16547474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).