1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide

C15H22N2O3S — CID 110819188

IUPAC1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide
SMILESCCC(=O)N1CCC(NS(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O3S/c1-2-15(18)17-10-8-14(9-11-17)16-21(19,20)12-13-6-4-3-5-7-13/h3-7,14,16H,2,8-12H2,1H3
InChIKeyBYTHSQLEMZZWLD-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.51
Rot. Bonds5

About 1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide

1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide (PubChem CID 110819188) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide
PubChem CID110819188
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide
SMILESCCC(=O)N1CCC(NS(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O3S/c1-2-15(18)17-10-8-14(9-11-17)16-21(19,20)12-13-6-4-3-5-7-13/h3-7,14,16H,2,8-12H2,1H3
InChIKeyBYTHSQLEMZZWLD-UHFFFAOYSA-N
XLogP1.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-4-yl]-1-phenylmethanesulfonamide
CID 110820123
N-(1-butanoylpiperidin-4-yl)-1-(3-methylphenyl)methanesulfonamide
CID 110819327
N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566076
N-(1-cyclopentylpiperidin-4-yl)-1-phenylmethanesulfonamide
CID 110752104
2-[4-(benzylsulfonylamino)piperidin-1-yl]-N-phenylacetamide
CID 51335811
N-(1-acetylpiperidin-4-yl)-3-phenylpropane-1-sulfonamide
CID 110715024
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 38822160
N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide
CID 110822627
N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 110820721
N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564016
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108566444

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide?
The IUPAC name of 1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide (CID 110819188) is 1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide?
The canonical SMILES for 1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide is CCC(=O)N1CCC(NS(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide?
The InChIKey is BYTHSQLEMZZWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-15(18)17-10-8-14(9-11-17)16-21(19,20)12-13-6-4-3-5-7-13/h3-7,14,16H,2,8-12H2,1H3.
What are the key properties of 1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide?
1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-propanoylpiperidin-4-yl)methanesulfonamide is sourced from PubChem (CID 110819188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).