N-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide

C16H31N3O3S — CID 60568206

IUPACN-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C16H31N3O3S/c1-3-4-10-17-16(20)15-9-8-14(2)19(13-15)23(21,22)18-11-6-5-7-12-18/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyWATKKAZOJNRACN-UHFFFAOYSA-N
MW345.51 g/mol
LogP1.73
Rot. Bonds6

About N-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide

N-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide (PubChem CID 60568206) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
PubChem CID60568206
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC NameN-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCC(C)N(S(=O)(=O)N2CCCCC2)C1
InChIInChI=1S/C16H31N3O3S/c1-3-4-10-17-16(20)15-9-8-14(2)19(13-15)23(21,22)18-11-6-5-7-12-18/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyWATKKAZOJNRACN-UHFFFAOYSA-N
XLogP1.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
(3R,6R)-1-acetyl-N-butyl-6-methylpiperidine-3-carboxamide
CID 95675542
N-butyl-1-(4-methoxy-3-methylphenyl)sulfonyl-6-methylpiperidine-3-carboxamide
CID 60568273
N-butyl-6-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxamide
CID 60568174
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3236692
(3R)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365618
(3S)-N-heptyl-1-propylsulfonylpiperidine-3-carboxamide
CID 98365619
(3S)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 98477781
1-[4-bromo-2-(trifluoromethyl)phenyl]sulfonyl-N-butyl-6-methylpiperidine-3-carboxamide
CID 155946142
methyl 3-(butylcarbamoyl)piperidine-1-carboxylate
CID 110754259
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 46273860
N-butyl-6-methyl-1-(8-methylquinolin-5-yl)sulfonylpiperidine-3-carboxamide
CID 60568240

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide (CID 60568206) is N-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide is CCCCNC(=O)C1CCC(C)N(S(=O)(=O)N2CCCCC2)C1.
What is the InChIKey of N-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is WATKKAZOJNRACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3S/c1-3-4-10-17-16(20)15-9-8-14(2)19(13-15)23(21,22)18-11-6-5-7-12-18/h14-15H,3-13H2,1-2H3,(H,17,20).
What are the key properties of N-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide?
N-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 345.51 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methyl-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 60568206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).