N-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide

C31H37N3O4S — CID 155465251

IUPACN-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCCN(S(=O)(=O)c2ccc(N3CCC(Oc4ccccc4)CC3)cc2)C1
InChIInChI=1S/C31H37N3O4S/c35-31(18-13-25-8-3-1-4-9-25)32-26-10-7-21-34(24-26)39(36,37)30-16-14-27(15-17-30)33-22-19-29(20-23-33)38-28-11-5-2-6-12-28/h1-6,8-9,11-12,14-17,26,29H,7,10,13,18-24H2,(H,32,35)
InChIKeyFLYGJRAFFIKRFP-UHFFFAOYSA-N
MW547.72 g/mol
LogP4.64
Rot. Bonds9

About N-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide

N-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide (PubChem CID 155465251) has the molecular formula C31H37N3O4S and a molecular weight of 547.72 g/mol. Its IUPAC name is N-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide
PubChem CID155465251
Molecular FormulaC31H37N3O4S
Molecular Weight547.72 g/mol
Exact Mass547.25
IUPAC NameN-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCCN(S(=O)(=O)c2ccc(N3CCC(Oc4ccccc4)CC3)cc2)C1
InChIInChI=1S/C31H37N3O4S/c35-31(18-13-25-8-3-1-4-9-25)32-26-10-7-21-34(24-26)39(36,37)30-16-14-27(15-17-30)33-22-19-29(20-23-33)38-28-11-5-2-6-12-28/h1-6,8-9,11-12,14-17,26,29H,7,10,13,18-24H2,(H,32,35)
InChIKeyFLYGJRAFFIKRFP-UHFFFAOYSA-N
XLogP4.64
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.72
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-morpholin-4-ylphenyl)sulfonylpiperidin-3-yl]-3-phenylpropanamide
CID 155465241
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-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
N-(2-phenylethyl)-4-[(3S)-3-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 89237464
N-[1-(4-cyclopentyloxybenzoyl)piperidin-4-yl]-3-phenylpropanamide
CID 55692214
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide
CID 119424951
N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714978
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055
N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119450219
3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119450862

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide (CID 155465251) is N-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCCN(S(=O)(=O)c2ccc(N3CCC(Oc4ccccc4)CC3)cc2)C1.
What is the InChIKey of N-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide?
The InChIKey is FLYGJRAFFIKRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O4S/c35-31(18-13-25-8-3-1-4-9-25)32-26-10-7-21-34(24-26)39(36,37)30-16-14-27(15-17-30)33-22-19-29(20-23-33)38-28-11-5-2-6-12-28/h1-6,8-9,11-12,14-17,26,29H,7,10,13,18-24H2,(H,32,35).
What are the key properties of N-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide?
N-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide has a molecular weight of 547.72 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-phenoxypiperidin-1-yl)phenyl]sulfonylpiperidin-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 155465251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).