1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one

C14H27NO4S — CID 106736432

IUPAC1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one
SMILESCC(C)(C)S(=O)(=O)CCC(=O)CCOC1CCNCC1
InChIInChI=1S/C14H27NO4S/c1-14(2,3)20(17,18)11-7-12(16)6-10-19-13-4-8-15-9-5-13/h13,15H,4-11H2,1-3H3
InChIKeyIHHQPJDIMZYHMP-UHFFFAOYSA-N
MW305.44 g/mol
LogP1.32
Rot. Bonds7

About 1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one

1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one (PubChem CID 106736432) has the molecular formula C14H27NO4S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one.

Molecular Properties

Compound Name1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one
PubChem CID106736432
Molecular FormulaC14H27NO4S
Molecular Weight305.44 g/mol
Exact Mass305.17
IUPAC Name1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one
SMILESCC(C)(C)S(=O)(=O)CCC(=O)CCOC1CCNCC1
InChIInChI=1S/C14H27NO4S/c1-14(2,3)20(17,18)11-7-12(16)6-10-19-13-4-8-15-9-5-13/h13,15H,4-11H2,1-3H3
InChIKeyIHHQPJDIMZYHMP-UHFFFAOYSA-N
XLogP1.32
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one 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

4-methylsulfonyl-1-piperidin-4-yloxybutan-2-one
CID 116571164
1-piperidin-4-yloxyhept-6-yn-3-one
CID 116572339
2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate
CID 174833207
1-piperidin-4-yloxyhex-5-en-3-one
CID 116572160
1-piperidin-4-yloxyoct-7-en-3-one
CID 116572312
N-methyl-3-piperidin-4-yloxy-N-propan-2-ylpropanamide
CID 63876646
3-methyl-3-(3-piperidin-4-yloxypropanoylamino)butanoic acid
CID 64702490
4-piperidin-4-yloxy-1-(2,4,6-trimethylphenyl)butan-2-one
CID 116572330
(2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid
CID 63902962
methyl 3-(2-piperidin-4-yloxyethylsulfamoyl)propanoate
CID 55250997
2-methylpropyl 3-piperidin-4-yloxypropanoate
CID 63869912
1-(4-methylcyclohexyl)-3-piperidin-4-yloxypropan-1-one
CID 116572370

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one?
The IUPAC name of 1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one (CID 106736432) is 1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one.
What is the SMILES notation for 1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one?
The canonical SMILES for 1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one is CC(C)(C)S(=O)(=O)CCC(=O)CCOC1CCNCC1.
What is the InChIKey of 1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one?
The InChIKey is IHHQPJDIMZYHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4S/c1-14(2,3)20(17,18)11-7-12(16)6-10-19-13-4-8-15-9-5-13/h13,15H,4-11H2,1-3H3.
What are the key properties of 1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one?
1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one has a molecular weight of 305.44 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one is sourced from PubChem (CID 106736432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).