1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one

C14H26N2OS — CID 114236996

IUPAC1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
SMILESCSC1CCN(C(=O)CCC2CCCCN2)CC1
InChIInChI=1S/C14H26N2OS/c1-18-13-7-10-16(11-8-13)14(17)6-5-12-4-2-3-9-15-12/h12-13,15H,2-11H2,1H3
InChIKeyDONNBYDBMAQJMZ-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.26
Rot. Bonds4

About 1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one

1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one (PubChem CID 114236996) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
PubChem CID114236996
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
SMILESCSC1CCN(C(=O)CCC2CCCCN2)CC1
InChIInChI=1S/C14H26N2OS/c1-18-13-7-10-16(11-8-13)14(17)6-5-12-4-2-3-9-15-12/h12-13,15H,2-11H2,1H3
InChIKeyDONNBYDBMAQJMZ-UHFFFAOYSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-diazepan-1-yl)-3-piperidin-2-ylpropan-1-one
CID 62210868
N,N-dimethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-1-carboxamide
CID 62211785
1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 114236984
1-(3,4-dihydroxypyrrolidin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 106668830
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one
CID 114797531
1-(3-methoxy-4-methylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 102957327
3-[4-(3-piperidin-2-ylpropanoyl)piperazin-1-yl]propanenitrile
CID 115348003
1-(2,2-dimethylmorpholin-4-yl)-3-piperidin-2-ylpropan-1-one
CID 62212610
2-[1-(3-piperidin-2-ylpropanoyl)azetidin-3-yl]acetic acid
CID 64605626
4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one
CID 65363828
1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144926
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-2-ylpropan-1-one
CID 62210843

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one?
The IUPAC name of 1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one (CID 114236996) is 1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one?
The canonical SMILES for 1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one is CSC1CCN(C(=O)CCC2CCCCN2)CC1.
What is the InChIKey of 1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one?
The InChIKey is DONNBYDBMAQJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-18-13-7-10-16(11-8-13)14(17)6-5-12-4-2-3-9-15-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one?
1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one has a molecular weight of 270.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one is sourced from PubChem (CID 114236996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).