N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide

C20H31N3O4S — CID 94119670

IUPACN-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESC[C@@H]1CCCN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C20H31N3O4S/c1-17-5-3-9-22(16-17)10-4-8-21-20(24)18-6-2-7-19(15-18)28(25,26)23-11-13-27-14-12-23/h2,6-7,15,17H,3-5,8-14,16H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyJBEOSRUXQUHTBA-QGZVFWFLSA-N
MW409.55 g/mol
LogP1.56
Rot. Bonds7

About N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide

N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 94119670) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID94119670
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC NameN-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESC[C@@H]1CCCN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1
InChIInChI=1S/C20H31N3O4S/c1-17-5-3-9-22(16-17)10-4-8-21-20(24)18-6-2-7-19(15-18)28(25,26)23-11-13-27-14-12-23/h2,6-7,15,17H,3-5,8-14,16H2,1H3,(H,21,24)/t17-/m1/s1
InChIKeyJBEOSRUXQUHTBA-QGZVFWFLSA-N
XLogP1.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-methylpiperidin-1-yl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133189659
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide
CID 133231319
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 94141666
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-morpholin-4-ylbutyl)benzamide
CID 55742045
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 42961781
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387433
4-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 18135081
N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4546258
N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55629229

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide (CID 94119670) is N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide is C[C@@H]1CCCN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C1.
What is the InChIKey of N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JBEOSRUXQUHTBA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-17-5-3-9-22(16-17)10-4-8-21-20(24)18-6-2-7-19(15-18)28(25,26)23-11-13-27-14-12-23/h2,6-7,15,17H,3-5,8-14,16H2,1H3,(H,21,24)/t17-/m1/s1.
What are the key properties of N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 409.55 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 94119670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).