(1-methylsulfonylpiperidin-4-yl)-piperazin-1-ylmethanone

C11H21N3O3S — CID 28709357

IUPAC(1-methylsulfonylpiperidin-4-yl)-piperazin-1-ylmethanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C11H21N3O3S/c1-18(16,17)14-6-2-10(3-7-14)11(15)13-8-4-12-5-9-13/h10,12H,2-9H2,1H3
InChIKeyPBADCIXAKXKEPM-UHFFFAOYSA-N
MW275.37 g/mol
LogP-0.91
Rot. Bonds2

About (1-methylsulfonylpiperidin-4-yl)-piperazin-1-ylmethanone

(1-methylsulfonylpiperidin-4-yl)-piperazin-1-ylmethanone (PubChem CID 28709357) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)-piperazin-1-ylmethanone
PubChem CID28709357
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name(1-methylsulfonylpiperidin-4-yl)-piperazin-1-ylmethanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C11H21N3O3S/c1-18(16,17)14-6-2-10(3-7-14)11(15)13-8-4-12-5-9-13/h10,12H,2-9H2,1H3
InChIKeyPBADCIXAKXKEPM-UHFFFAOYSA-N
XLogP-0.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(propylsulfonyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 3243812
N-[2-(diethylamino)ethyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3245025
N-(3-methylbutyl)-1-(propylsulfonyl)piperidine-4-carboxamide
CID 4295316
N-[3-(Diethylamino)propyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
CID 3599497
1-(ethylsulfonyl)-N-[2-(morpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 4614751
N-methyl-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1081282
1-Methyl-4-(piperidine-4-carbonyl)piperazine
CID 2760037
N-[3-(diethylamino)propyl]-1-(methylsulfonyl)piperidine-4-carboxamide
CID 4087817
1-(ethylsulfonyl)-N-(3-methylbutyl)piperidine-4-carboxamide
CID 4580597
1-acetyl-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 6464517
N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 32583942
Methyl 4-((1-(methylsulfonyl)piperidine-4-carboxamido)methyl)piperidine-1-carboxylate
CID 49688845

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)-piperazin-1-ylmethanone (CID 28709357) is (1-methylsulfonylpiperidin-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)-piperazin-1-ylmethanone is CS(=O)(=O)N1CCC(C(=O)N2CCNCC2)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)-piperazin-1-ylmethanone?
The InChIKey is PBADCIXAKXKEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-18(16,17)14-6-2-10(3-7-14)11(15)13-8-4-12-5-9-13/h10,12H,2-9H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)-piperazin-1-ylmethanone?
(1-methylsulfonylpiperidin-4-yl)-piperazin-1-ylmethanone has a molecular weight of 275.37 g/mol, XLogP of -0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 28709357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).