1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one

C14H27NO3S — CID 106736401

IUPAC1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one
SMILESCCCC1(C(=O)CCS(=O)(=O)CCC)CCCNC1
InChIInChI=1S/C14H27NO3S/c1-3-7-14(8-5-9-15-12-14)13(16)6-11-19(17,18)10-4-2/h15H,3-12H2,1-2H3
InChIKeyVGFNPEOFJMHFBX-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.94
Rot. Bonds8

About 1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one

1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one (PubChem CID 106736401) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one
PubChem CID106736401
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one
SMILESCCCC1(C(=O)CCS(=O)(=O)CCC)CCCNC1
InChIInChI=1S/C14H27NO3S/c1-3-7-14(8-5-9-15-12-14)13(16)6-11-19(17,18)10-4-2/h15H,3-12H2,1-2H3
InChIKeyVGFNPEOFJMHFBX-UHFFFAOYSA-N
XLogP1.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-propylpiperidin-3-yl)heptan-1-one
CID 116569742
1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one
CID 106976841
1-(3-propylpiperidin-3-yl)but-3-yn-1-one
CID 116569591
2-propoxy-1-(3-propylpiperidin-3-yl)ethanone
CID 116569758
3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one
CID 116569712
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
1-(2-ethylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one
CID 106736874
N-methyl-N-propan-2-yl-3-propylpiperidine-3-carboxamide
CID 63132392
(4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone
CID 116569810
2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569699
N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide
CID 64642823

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one?
The IUPAC name of 1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one (CID 106736401) is 1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one.
What is the SMILES notation for 1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one?
The canonical SMILES for 1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one is CCCC1(C(=O)CCS(=O)(=O)CCC)CCCNC1.
What is the InChIKey of 1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one?
The InChIKey is VGFNPEOFJMHFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-3-7-14(8-5-9-15-12-14)13(16)6-11-19(17,18)10-4-2/h15H,3-12H2,1-2H3.
What are the key properties of 1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one?
1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one has a molecular weight of 289.44 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one is sourced from PubChem (CID 106736401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).