(2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one

C13H18N2OS — CID 125142459

IUPAC(2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one
SMILESC[C@@H](Sc1ccncc1)C(=O)N1CCCCC1
InChIInChI=1S/C13H18N2OS/c1-11(17-12-5-7-14-8-6-12)13(16)15-9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3/t11-/m1/s1
InChIKeyUZWZMEZPVJIBDR-LLVKDONJSA-N
MW250.37 g/mol
LogP2.57
Rot. Bonds3

About (2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one

(2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one (PubChem CID 125142459) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is (2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one
PubChem CID125142459
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name(2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one
SMILESC[C@@H](Sc1ccncc1)C(=O)N1CCCCC1
InChIInChI=1S/C13H18N2OS/c1-11(17-12-5-7-14-8-6-12)13(16)15-9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3/t11-/m1/s1
InChIKeyUZWZMEZPVJIBDR-LLVKDONJSA-N
XLogP2.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(azepan-1-yl)-2-phenylsulfanylpropan-1-one
CID 28771690
(2R)-2-(4-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 39074926
(2S)-1-(azepan-1-yl)-2-(4-chlorophenyl)sulfanylpropan-1-one
CID 92662148
(2R)-2-(4-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 785177
N-[4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 27387195
2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 132760012
2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfanylphenyl]acetic acid
CID 64929530
2-(3-acetylphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 64661117
2-(4-amino-3-methylphenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 79147877
2-(4-nitrophenyl)sulfanyl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 84964342
2-(4-methylphenyl)sulfanyl-1-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)propan-1-one
CID 131929591
2-(4-amino-3-chlorophenyl)sulfanyl-1-piperidin-1-ylpropan-1-one
CID 79149876

Frequently Asked Questions

What is the IUPAC name of (2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one?
The IUPAC name of (2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one (CID 125142459) is (2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one.
What is the SMILES notation for (2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one?
The canonical SMILES for (2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one is C[C@@H](Sc1ccncc1)C(=O)N1CCCCC1.
What is the InChIKey of (2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one?
The InChIKey is UZWZMEZPVJIBDR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-11(17-12-5-7-14-8-6-12)13(16)15-9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one?
(2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one has a molecular weight of 250.37 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-piperidin-1-yl-2-pyridin-4-ylsulfanylpropan-1-one is sourced from PubChem (CID 125142459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).