[3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone

C18H33N3O4S — CID 120876158

IUPAC[3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone
SMILESCOC1CCN(S(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)C(CN)C1
InChIInChI=1S/C18H33N3O4S/c1-25-16-8-10-21(15(11-16)12-19)26(23,24)17-7-4-9-20(13-17)18(22)14-5-2-3-6-14/h14-17H,2-13,19H2,1H3
InChIKeyPHVGZVQZOBYBRE-UHFFFAOYSA-N
MW387.55 g/mol
LogP0.94
Rot. Bonds5

About [3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone

[3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone (PubChem CID 120876158) has the molecular formula C18H33N3O4S and a molecular weight of 387.55 g/mol. Its IUPAC name is [3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone
PubChem CID120876158
Molecular FormulaC18H33N3O4S
Molecular Weight387.55 g/mol
Exact Mass387.22
IUPAC Name[3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone
SMILESCOC1CCN(S(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)C(CN)C1
InChIInChI=1S/C18H33N3O4S/c1-25-16-8-10-21(15(11-16)12-19)26(23,24)17-7-4-9-20(13-17)18(22)14-5-2-3-6-14/h14-17H,2-13,19H2,1H3
InChIKeyPHVGZVQZOBYBRE-UHFFFAOYSA-N
XLogP0.94
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpropanoic acid
CID 112622457
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 112622666
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 112622398
1-(cyclopentanecarbonyl)piperidine-3-sulfonyl chloride
CID 75480497
[3-(4-aminopiperidin-1-yl)sulfonylpiperidin-1-yl]-cyclopentylmethanone
CID 120874346
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-1-piperidin-1-ylethanone
CID 112622497
ethyl (3S)-3-[(3R)-3-methoxypyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 95788654
[4-methoxy-1-(2-methoxyethylsulfonyl)piperidin-2-yl]methanamine
CID 112622474
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 112622258
(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-3-sulfonamide
CID 97348227
azepan-1-yl-(4-methoxycyclohexyl)methanone
CID 112530492

Frequently Asked Questions

What is the IUPAC name of [3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone?
The IUPAC name of [3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone (CID 120876158) is [3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone is COC1CCN(S(=O)(=O)C2CCCN(C(=O)C3CCCC3)C2)C(CN)C1.
What is the InChIKey of [3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone?
The InChIKey is PHVGZVQZOBYBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4S/c1-25-16-8-10-21(15(11-16)12-19)26(23,24)17-7-4-9-20(13-17)18(22)14-5-2-3-6-14/h14-17H,2-13,19H2,1H3.
What are the key properties of [3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone?
[3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone has a molecular weight of 387.55 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]sulfonylpiperidin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 120876158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).