4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide

C20H25N3O2S — CID 91788256

IUPAC4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(Cc2cccnc2)C1)c1ccc(SCCO)cc1
InChIInChI=1S/C20H25N3O2S/c24-11-12-26-19-7-5-17(6-8-19)20(25)22-18-4-2-10-23(15-18)14-16-3-1-9-21-13-16/h1,3,5-9,13,18,24H,2,4,10-12,14-15H2,(H,22,25)
InChIKeyJYPPJMVIPVILEU-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.56
Rot. Bonds7

About 4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide

4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide (PubChem CID 91788256) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
PubChem CID91788256
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(Cc2cccnc2)C1)c1ccc(SCCO)cc1
InChIInChI=1S/C20H25N3O2S/c24-11-12-26-19-7-5-17(6-8-19)20(25)22-18-4-2-10-23(15-18)14-16-3-1-9-21-13-16/h1,3,5-9,13,18,24H,2,4,10-12,14-15H2,(H,22,25)
InChIKeyJYPPJMVIPVILEU-UHFFFAOYSA-N
XLogP2.56
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 125441300
6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 124855297
1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 125173875
2-(2-methylphenyl)sulfanyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124749391
3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide
CID 91778553
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125440680
1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900155
2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
CID 124758694
1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide
CID 97133366
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 125165036
2-(5-amino-3-methylpyrazol-1-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 124753575
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide?
The IUPAC name of 4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide (CID 91788256) is 4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide.
What is the SMILES notation for 4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide?
The canonical SMILES for 4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide is O=C(NC1CCCN(Cc2cccnc2)C1)c1ccc(SCCO)cc1.
What is the InChIKey of 4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide?
The InChIKey is JYPPJMVIPVILEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-11-12-26-19-7-5-17(6-8-19)20(25)22-18-4-2-10-23(15-18)14-16-3-1-9-21-13-16/h1,3,5-9,13,18,24H,2,4,10-12,14-15H2,(H,22,25).
What are the key properties of 4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide?
4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide has a molecular weight of 371.51 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 91788256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).