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

C14H26N2OS — CID 114236984

IUPAC1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
SMILESCSC1CCN(C(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C14H26N2OS/c1-18-13-6-10-16(11-7-13)14(17)3-2-12-4-8-15-9-5-12/h12-13,15H,2-11H2,1H3
InChIKeyAVBFKJMVROFIGK-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.12
Rot. Bonds4

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

1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one (PubChem CID 114236984) 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-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
PubChem CID114236984
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one
SMILESCSC1CCN(C(=O)CCC2CCNCC2)CC1
InChIInChI=1S/C14H26N2OS/c1-18-13-6-10-16(11-7-13)14(17)3-2-12-4-8-15-9-5-12/h12-13,15H,2-11H2,1H3
InChIKeyAVBFKJMVROFIGK-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-4-yl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103876554
methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate
CID 62212418
3-piperidin-4-yl-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 62212540
1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-2-ylpropan-1-one
CID 114236996
N-[1-(3-piperidin-4-ylpropanoyl)piperidin-4-yl]propanamide
CID 62210567
1-[4-(2-methylpropyl)piperazin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62210402
1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 107220234
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 103356003
1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62212438
3-cyclohexyl-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 119300396
1-(3-morpholin-4-ylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 63172005
1-(3-ethylpyrrolidin-1-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 115774867

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one?
The IUPAC name of 1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one (CID 114236984) is 1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one is CSC1CCN(C(=O)CCC2CCNCC2)CC1.
What is the InChIKey of 1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one?
The InChIKey is AVBFKJMVROFIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-18-13-6-10-16(11-7-13)14(17)3-2-12-4-8-15-9-5-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one?
1-(4-methylsulfanylpiperidin-1-yl)-3-piperidin-4-ylpropan-1-one has a molecular weight of 270.44 g/mol, XLogP of 2.12, 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-4-ylpropan-1-one is sourced from PubChem (CID 114236984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).