3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide

C25H33N3O3S — CID 55676986

IUPAC3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C25H33N3O3S/c29-25(26-24-9-3-2-8-22(24)20-27-16-6-7-17-27)15-12-21-10-13-23(14-11-21)32(30,31)28-18-4-1-5-19-28/h2-3,8-11,13-14H,1,4-7,12,15-20H2,(H,26,29)
InChIKeyVLEIGEKNDZNQMP-UHFFFAOYSA-N
MW455.62 g/mol
LogP4.03
Rot. Bonds8

About 3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide

3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide (PubChem CID 55676986) has the molecular formula C25H33N3O3S and a molecular weight of 455.62 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide
PubChem CID55676986
Molecular FormulaC25H33N3O3S
Molecular Weight455.62 g/mol
Exact Mass455.22
IUPAC Name3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C25H33N3O3S/c29-25(26-24-9-3-2-8-22(24)20-27-16-6-7-17-27)15-12-21-10-13-23(14-11-21)32(30,31)28-18-4-1-5-19-28/h2-3,8-11,13-14H,1,4-7,12,15-20H2,(H,26,29)
InChIKeyVLEIGEKNDZNQMP-UHFFFAOYSA-N
XLogP4.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.62
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 32621375
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-thiophen-2-ylphenyl)propanamide
CID 16577582
N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27445242
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(triazol-1-yl)phenyl]propanamide
CID 112827697
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
N-(2-aminophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 119422117
3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 27444974
N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60561901
3-(4-piperidin-1-ylsulfonylphenyl)-N-quinolin-2-ylpropanamide
CID 46655053
N-(2,6-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 16567459
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide
CID 41438320
N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27444998

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide (CID 55676986) is 3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccccc1CN1CCCC1.
What is the InChIKey of 3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The InChIKey is VLEIGEKNDZNQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3S/c29-25(26-24-9-3-2-8-22(24)20-27-16-6-7-17-27)15-12-21-10-13-23(14-11-21)32(30,31)28-18-4-1-5-19-28/h2-3,8-11,13-14H,1,4-7,12,15-20H2,(H,26,29).
What are the key properties of 3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 455.62 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 55676986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).