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

C12H23N3O3S — CID 47154847

IUPAC1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(N)=O)C2)CC1
InChIInChI=1S/C12H23N3O3S/c1-10-4-7-14(8-5-10)19(17,18)15-6-2-3-11(9-15)12(13)16/h10-11H,2-9H2,1H3,(H2,13,16)
InChIKeyAWWJVWDKUZTJLA-UHFFFAOYSA-N
MW289.40 g/mol
LogP0.16
Rot. Bonds3

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

1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 47154847) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
PubChem CID47154847
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
SMILESCC1CCN(S(=O)(=O)N2CCCC(C(N)=O)C2)CC1
InChIInChI=1S/C12H23N3O3S/c1-10-4-7-14(8-5-10)19(17,18)15-6-2-3-11(9-15)12(13)16/h10-11H,2-9H2,1H3,(H2,13,16)
InChIKeyAWWJVWDKUZTJLA-UHFFFAOYSA-N
XLogP0.16
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 94806388
1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 47149029
1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 60857580
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
1-sulfamoylpiperidine-3-carboxamide
CID 43132049
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547
1-[1-(azepan-1-ylsulfonyl)piperidin-3-yl]ethanone
CID 63846938
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
(4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3690578
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate
CID 81318780
(3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide
CID 94013163

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide (CID 47154847) is 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is CC1CCN(S(=O)(=O)N2CCCC(C(N)=O)C2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is AWWJVWDKUZTJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-10-4-7-14(8-5-10)19(17,18)15-6-2-3-11(9-15)12(13)16/h10-11H,2-9H2,1H3,(H2,13,16).
What are the key properties of 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide?
1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 47154847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).