4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide

C19H28N2O2S — CID 71866658

IUPAC4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCC(N(C)C(=O)c2ccc(N3CCC(O)CC3)cc2)C1
InChIInChI=1S/C19H28N2O2S/c1-20(16-7-8-18(13-16)24-2)19(23)14-3-5-15(6-4-14)21-11-9-17(22)10-12-21/h3-6,16-18,22H,7-13H2,1-2H3
InChIKeyHKHJFTGRGSQENX-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.00
Rot. Bonds4

About 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide

4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide (PubChem CID 71866658) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
PubChem CID71866658
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC Name4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide
SMILESCSC1CCC(N(C)C(=O)c2ccc(N3CCC(O)CC3)cc2)C1
InChIInChI=1S/C19H28N2O2S/c1-20(16-7-8-18(13-16)24-2)19(23)14-3-5-15(6-4-14)21-11-9-17(22)10-12-21/h3-6,16-18,22H,7-13H2,1-2H3
InChIKeyHKHJFTGRGSQENX-UHFFFAOYSA-N
XLogP3.00
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-ethyl-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111520410
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-propan-2-ylbenzamide
CID 111911911
3-(dimethylamino)-N-methyl-N-[(1S,3R)-3-methylsulfanylcyclopentyl]benzamide
CID 95898425
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide
CID 111331488
N-cyclopentyl-N-methyl-4-morpholin-4-ylbenzamide
CID 43910092
N-butan-2-yl-4-(4-hydroxypiperidin-1-yl)-N-methylbenzamide
CID 111464498
N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111538804
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 111430881
N-methyl-4-(4-propan-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119554676
N-[3-(dimethylamino)cyclohexyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111783320
3-amino-N-methyl-N-[(1S,3S)-3-methylsulfanylcyclopentyl]pyrazine-2-carboxamide
CID 96517663
N-cyclopropyl-N-[4-(4-hydroxypiperidin-1-yl)phenyl]-4-indazol-1-ylbenzamide
CID 141431573

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide (CID 71866658) is 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide is CSC1CCC(N(C)C(=O)c2ccc(N3CCC(O)CC3)cc2)C1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide?
The InChIKey is HKHJFTGRGSQENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-20(16-7-8-18(13-16)24-2)19(23)14-3-5-15(6-4-14)21-11-9-17(22)10-12-21/h3-6,16-18,22H,7-13H2,1-2H3.
What are the key properties of 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide?
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide has a molecular weight of 348.51 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-methylsulfanylcyclopentyl)benzamide is sourced from PubChem (CID 71866658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).