N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide

C16H23N3O4S — CID 55975169

IUPACN-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)C1
InChIInChI=1S/C16H23N3O4S/c1-3-15(20)19-10-4-5-12(11-19)16(21)17-13-6-8-14(9-7-13)18-24(2,22)23/h6-9,12,18H,3-5,10-11H2,1-2H3,(H,17,21)
InChIKeyDJTDVILJOXRIHH-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.65
Rot. Bonds5

About N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide

N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 55975169) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID55975169
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCCC(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)C1
InChIInChI=1S/C16H23N3O4S/c1-3-15(20)19-10-4-5-12(11-19)16(21)17-13-6-8-14(9-7-13)18-24(2,22)23/h6-9,12,18H,3-5,10-11H2,1-2H3,(H,17,21)
InChIKeyDJTDVILJOXRIHH-UHFFFAOYSA-N
XLogP1.65
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 55811063
N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527480
N-(3-iodophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255391
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55871872
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 55811341
N-(3-bromophenyl)-1-propanoylpiperidine-3-carboxamide
CID 47255103
tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55960977
(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084
(3S)-1-butanoyl-N-thiophen-3-ylpiperidine-3-carboxamide
CID 99564667
N-(2-piperidin-1-ylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60529718
(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 9074203
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide (CID 55975169) is N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCCC(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)C1.
What is the InChIKey of N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is DJTDVILJOXRIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-3-15(20)19-10-4-5-12(11-19)16(21)17-13-6-8-14(9-7-13)18-24(2,22)23/h6-9,12,18H,3-5,10-11H2,1-2H3,(H,17,21).
What are the key properties of N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide?
N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)phenyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 55975169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).