pyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone

C23H29N3O2S — CID 45207854

IUPACpyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCCC(COc2ccc(CN3CCSCC3)cc2)C1
InChIInChI=1S/C23H29N3O2S/c27-23(21-4-1-9-24-15-21)26-10-2-3-20(17-26)18-28-22-7-5-19(6-8-22)16-25-11-13-29-14-12-25/h1,4-9,15,20H,2-3,10-14,16-18H2
InChIKeyRKYDHJRRZYHSQG-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.56
Rot. Bonds6

About pyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone

pyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone (PubChem CID 45207854) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is pyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone
PubChem CID45207854
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC Namepyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone
SMILESO=C(c1cccnc1)N1CCCC(COc2ccc(CN3CCSCC3)cc2)C1
InChIInChI=1S/C23H29N3O2S/c27-23(21-4-1-9-24-15-21)26-10-2-3-20(17-26)18-28-22-7-5-19(6-8-22)16-25-11-13-29-14-12-25/h1,4-9,15,20H,2-3,10-14,16-18H2
InChIKeyRKYDHJRRZYHSQG-UHFFFAOYSA-N
XLogP3.56
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 125158524
[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 125158523
(3-methylthiophen-2-yl)-[(3S)-3-[[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 51631110
1-[3-[(3R)-3-[[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 98262011
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 29152498
(E)-3-(4-methoxyphenyl)-1-[(3S)-3-[[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one
CID 92763270
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971294
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110411687
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
4-methoxy-N-[[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42527977
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70742706

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone?
The IUPAC name of pyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone (CID 45207854) is pyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone?
The canonical SMILES for pyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone is O=C(c1cccnc1)N1CCCC(COc2ccc(CN3CCSCC3)cc2)C1.
What is the InChIKey of pyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone?
The InChIKey is RKYDHJRRZYHSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c27-23(21-4-1-9-24-15-21)26-10-2-3-20(17-26)18-28-22-7-5-19(6-8-22)16-25-11-13-29-14-12-25/h1,4-9,15,20H,2-3,10-14,16-18H2.
What are the key properties of pyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone?
pyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone has a molecular weight of 411.57 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 45207854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).