N-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide

C24H31N3O4S — CID 155465241

IUPACN-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCCN(S(=O)(=O)c2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C24H31N3O4S/c28-24(13-8-20-5-2-1-3-6-20)25-21-7-4-14-27(19-21)32(29,30)23-11-9-22(10-12-23)26-15-17-31-18-16-26/h1-3,5-6,9-12,21H,4,7-8,13-19H2,(H,25,28)
InChIKeyIZNPTTQDLHMXJH-UHFFFAOYSA-N
MW457.60 g/mol
LogP2.43
Rot. Bonds7

About N-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide

N-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide (PubChem CID 155465241) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide
PubChem CID155465241
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC NameN-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCCN(S(=O)(=O)c2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C24H31N3O4S/c28-24(13-8-20-5-2-1-3-6-20)25-21-7-4-14-27(19-21)32(29,30)23-11-9-22(10-12-23)26-15-17-31-18-16-26/h1-3,5-6,9-12,21H,4,7-8,13-19H2,(H,25,28)
InChIKeyIZNPTTQDLHMXJH-UHFFFAOYSA-N
XLogP2.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide
CID 155465251
N-[1-[4-[4-(1,1-difluoroethyl)piperidin-1-yl]phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide
CID 167676993
3-phenyl-N-[1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-yl]propanamide
CID 155465315
3-phenyl-N-[1-(4-propan-2-yloxyphenyl)sulfonylpiperidin-3-yl]propanamide
CID 166042846
N-cyclopropyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110647271
3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide
CID 119390011
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 1164401
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55690967
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-[cyclohexyl(phenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55689992
3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 55635058
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide
CID 119424951

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide (CID 155465241) is N-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCCN(S(=O)(=O)c2ccc(N3CCOCC3)cc2)C1.
What is the InChIKey of N-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide?
The InChIKey is IZNPTTQDLHMXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c28-24(13-8-20-5-2-1-3-6-20)25-21-7-4-14-27(19-21)32(29,30)23-11-9-22(10-12-23)26-15-17-31-18-16-26/h1-3,5-6,9-12,21H,4,7-8,13-19H2,(H,25,28).
What are the key properties of N-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide?
N-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide has a molecular weight of 457.60 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 155465241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).