N-(3-methylbutyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide

C17H33N3O3S — CID 3308620

IUPACN-(3-methylbutyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(S(=O)(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C17H33N3O3S/c1-14(2)4-9-18-17(21)16-7-12-20(13-8-16)24(22,23)19-10-5-15(3)6-11-19/h14-16H,4-13H2,1-3H3,(H,18,21)
InChIKeyUGDWENPELQPDII-UHFFFAOYSA-N
MW359.54 g/mol
LogP1.84
Rot. Bonds6

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

N-(3-methylbutyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 3308620) has the molecular formula C17H33N3O3S and a molecular weight of 359.54 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
PubChem CID3308620
Molecular FormulaC17H33N3O3S
Molecular Weight359.54 g/mol
Exact Mass359.22
IUPAC NameN-(3-methylbutyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CCN(S(=O)(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C17H33N3O3S/c1-14(2)4-9-18-17(21)16-7-12-20(13-8-16)24(22,23)19-10-5-15(3)6-11-19/h14-16H,4-13H2,1-3H3,(H,18,21)
InChIKeyUGDWENPELQPDII-UHFFFAOYSA-N
XLogP1.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxypropyl)-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3235671
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3239879
N-[3-(4-methylpiperidin-1-yl)propyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3243323
N-[2-(diethylamino)ethyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3245025
1-(azepan-1-ylsulfonyl)-N-butylpiperidine-4-carboxamide
CID 4673656
1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide
CID 6467229
N-cyclopentyl-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3235968
1-[(diisobutylamino)sulfonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 3241773
N-(3-isopropoxypropyl)-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3245385
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3236692
N-[2-(2-methylpiperidin-1-yl)ethyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3238739
1-[(diisobutylamino)sulfonyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 3239925

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide (CID 3308620) is N-(3-methylbutyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide is CC(C)CCNC(=O)C1CCN(S(=O)(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of N-(3-methylbutyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is UGDWENPELQPDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3S/c1-14(2)4-9-18-17(21)16-7-12-20(13-8-16)24(22,23)19-10-5-15(3)6-11-19/h14-16H,4-13H2,1-3H3,(H,18,21).
What are the key properties of N-(3-methylbutyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide?
N-(3-methylbutyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 359.54 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3308620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).