N-butan-2-yl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

C16H31N3O3S — CID 4072547

IUPACN-butan-2-yl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CCCN(S(=O)(=O)N2CCC(C)CC2)C1
InChIInChI=1S/C16H31N3O3S/c1-4-14(3)17-16(20)15-6-5-9-19(12-15)23(21,22)18-10-7-13(2)8-11-18/h13-15H,4-12H2,1-3H3,(H,17,20)
InChIKeyKFMZFFXWDSDOHB-UHFFFAOYSA-N
MW345.51 g/mol
LogP1.59
Rot. Bonds5

About N-butan-2-yl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide

N-butan-2-yl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 4072547) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-butan-2-yl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
PubChem CID4072547
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC NameN-butan-2-yl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CCCN(S(=O)(=O)N2CCC(C)CC2)C1
InChIInChI=1S/C16H31N3O3S/c1-4-14(3)17-16(20)15-6-5-9-19(12-15)23(21,22)18-10-7-13(2)8-11-18/h13-15H,4-12H2,1-3H3,(H,17,20)
InChIKeyKFMZFFXWDSDOHB-UHFFFAOYSA-N
XLogP1.59
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-ethylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 5099315
N-cyclopentyl-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3235968
N-isopropyl-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3237649
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4185001
N-cyclohexyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 3317219
N-cyclopentyl-1-[(4-methylpiperidin-1-yl)sulfonyl]piperidine-4-carboxamide
CID 5240507
N-(2-{1-[(1-cyclopentyl-6-oxo-3-piperidinyl)carbonyl]-4-piperidinyl}ethyl)acetamide
CID 24817555
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 3320932
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-3-carboxamide
CID 4070416
N-cyclooctyl-1-[(3,5-dimethylpiperidin-1-yl)sulfonyl]piperidine-3-carboxamide
CID 4293138
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 22552992
1-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 5123122

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (CID 4072547) is N-butan-2-yl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is CCC(C)NC(=O)C1CCCN(S(=O)(=O)N2CCC(C)CC2)C1.
What is the InChIKey of N-butan-2-yl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is KFMZFFXWDSDOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3S/c1-4-14(3)17-16(20)15-6-5-9-19(12-15)23(21,22)18-10-7-13(2)8-11-18/h13-15H,4-12H2,1-3H3,(H,17,20).
What are the key properties of N-butan-2-yl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
N-butan-2-yl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 345.51 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4072547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).