N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C17H26N2O4S — CID 2188546

IUPACN-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H26N2O4S/c1-3-4-11-18-17(20)14-9-12-19(13-10-14)24(21,22)16-7-5-15(23-2)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3,(H,18,20)
InChIKeyKFPJQZRRDINCKY-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.01
Rot. Bonds7

About N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 2188546) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID2188546
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C17H26N2O4S/c1-3-4-11-18-17(20)14-9-12-19(13-10-14)24(21,22)16-7-5-15(23-2)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3,(H,18,20)
InChIKeyKFPJQZRRDINCKY-UHFFFAOYSA-N
XLogP2.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methoxyphenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100656350
N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113002717
N-(3-butoxypropyl)-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 27682716
1-(4-methoxyphenyl)sulfonyl-N-[3-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 133167714
N-(2,2-dimethylpropyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100799217
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
N-(2-amino-2-ethylbutyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 119639873
1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 113005630
N-hexyl-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 32645883
N-(3-aminopropyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119404891
N-butyl-1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113002724
1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 27256239

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 2188546) is N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KFPJQZRRDINCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-3-4-11-18-17(20)14-9-12-19(13-10-14)24(21,22)16-7-5-15(23-2)6-8-16/h5-8,14H,3-4,9-13H2,1-2H3,(H,18,20).
What are the key properties of N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2188546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).