[3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone

C16H29N3O3S — CID 120874346

IUPAC[3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone
SMILESNC1CCN(S(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)CC1
InChIInChI=1S/C16H29N3O3S/c17-14-7-10-19(11-8-14)23(21,22)15-6-3-9-18(12-15)16(20)13-4-1-2-5-13/h13-15H,1-12,17H2
InChIKeyANIPRFCTIMZELW-UHFFFAOYSA-N
MW343.49 g/mol
LogP0.92
Rot. Bonds3

About [3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone

[3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone (PubChem CID 120874346) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is [3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone
PubChem CID120874346
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC Name[3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone
SMILESNC1CCN(S(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)CC1
InChIInChI=1S/C16H29N3O3S/c17-14-7-10-19(11-8-14)23(21,22)15-6-3-9-18(12-15)16(20)13-4-1-2-5-13/h13-15H,1-12,17H2
InChIKeyANIPRFCTIMZELW-UHFFFAOYSA-N
XLogP0.92
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopentanecarbonyl)piperidine-3-sulfonyl chloride
CID 75480497
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542
(4-aminopiperidin-1-yl)-cyclobutylmethanone
CID 16777962
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
1-(cyclopentanecarbonyl)azetidine-3-sulfonamide
CID 127799605
(4-aminocyclohexyl)-(3-hydroxypiperidin-1-yl)methanone
CID 60849021
(1-cyclopentylsulfonylpiperidin-4-yl)-morpholin-4-ylmethanone
CID 110619013
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide
CID 97348227
cyclopentyl-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93040537
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 80553884
(4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119376301

Frequently Asked Questions

What is the IUPAC name of [3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone (CID 120874346) is [3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone is NC1CCN(S(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)CC1.
What is the InChIKey of [3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone?
The InChIKey is ANIPRFCTIMZELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c17-14-7-10-19(11-8-14)23(21,22)15-6-3-9-18(12-15)16(20)13-4-1-2-5-13/h13-15H,1-12,17H2.
What are the key properties of [3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone?
[3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone has a molecular weight of 343.49 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 120874346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).