N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

C25H32FN3O4S — CID 55961209

IUPACN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C25H32FN3O4S/c26-22-6-1-21(2-7-22)19-28-13-11-23(12-14-28)27-25(30)10-5-20-3-8-24(9-4-20)34(31,32)29-15-17-33-18-16-29/h1-4,6-9,23H,5,10-19H2,(H,27,30)
InChIKeyXEJJJVZAFWDWOL-UHFFFAOYSA-N
MW489.61 g/mol
LogP2.56
Rot. Bonds8

About N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide

N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (PubChem CID 55961209) has the molecular formula C25H32FN3O4S and a molecular weight of 489.61 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
PubChem CID55961209
Molecular FormulaC25H32FN3O4S
Molecular Weight489.61 g/mol
Exact Mass489.21
IUPAC NameN-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C25H32FN3O4S/c26-22-6-1-21(2-7-22)19-28-13-11-23(12-14-28)27-25(30)10-5-20-3-8-24(9-4-20)34(31,32)29-15-17-33-18-16-29/h1-4,6-9,23H,5,10-19H2,(H,27,30)
InChIKeyXEJJJVZAFWDWOL-UHFFFAOYSA-N
XLogP2.56
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-morpholin-4-ylsulfonylphenyl)-N-piperidin-4-ylpropanamide
CID 119390011
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55690967
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55735412
N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide
CID 110823021
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 98518961
N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27673196
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
3-[(4-bromophenyl)sulfonylamino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55960822
3-(4-fluorophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 33003807
N-(cyclohexylmethyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 24678012
N-(3-chloro-2-fluorophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 26309208
N-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 6470268

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide (CID 55961209) is N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NC1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
The InChIKey is XEJJJVZAFWDWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O4S/c26-22-6-1-21(2-7-22)19-28-13-11-23(12-14-28)27-25(30)10-5-20-3-8-24(9-4-20)34(31,32)29-15-17-33-18-16-29/h1-4,6-9,23H,5,10-19H2,(H,27,30).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide?
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide has a molecular weight of 489.61 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55961209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).