4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide

C21H24N2O3S — CID 58933809

IUPAC4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C(=O)CSc2ccccc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C21H24N2O3S/c24-18-8-6-17(7-9-18)21(26)22-14-16-10-12-23(13-11-16)20(25)15-27-19-4-2-1-3-5-19/h1-9,16,24H,10-15H2,(H,22,26)
InChIKeyJEVXGCIPIHKATJ-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.15
Rot. Bonds6

About 4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide

4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide (PubChem CID 58933809) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide
PubChem CID58933809
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(C(=O)CSc2ccccc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C21H24N2O3S/c24-18-8-6-17(7-9-18)21(26)22-14-16-10-12-23(13-11-16)20(25)15-27-19-4-2-1-3-5-19/h1-9,16,24H,10-15H2,(H,22,26)
InChIKeyJEVXGCIPIHKATJ-UHFFFAOYSA-N
XLogP3.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenyl)sulfanyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119543687
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide
CID 58933474
4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 90981749
4-[[[4-(2,2,2-trifluoro-1-hydroxyethyl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 91475871
4-[[[4-(1-nitrosoethyl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 91480032
1-[(3S)-3-aminopyrrolidin-1-yl]-2-phenylsulfanylethanone;hydrochloride
CID 119934344
1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 78840834
1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea
CID 47070919
4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90818078
(E)-3-[4-[(1-benzylpiperidin-4-yl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 175172599
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-naphthalen-2-ylsulfanylethanone
CID 119622711
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 108922184

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide (CID 58933809) is 4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(C(=O)CSc2ccccc2)CC1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is JEVXGCIPIHKATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c24-18-8-6-17(7-9-18)21(26)22-14-16-10-12-23(13-11-16)20(25)15-27-19-4-2-1-3-5-19/h1-9,16,24H,10-15H2,(H,22,26).
What are the key properties of 4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide?
4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 384.50 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[1-(2-phenylsulfanylacetyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 58933809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).