4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide

C22H30N2O2S — CID 56911223

IUPAC4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NC2CCCN(Cc3cccs3)C2)cc1
InChIInChI=1S/C22H30N2O2S/c1-22(2,26)12-11-17-7-9-18(10-8-17)21(25)23-19-5-3-13-24(15-19)16-20-6-4-14-27-20/h4,6-10,14,19,26H,3,5,11-13,15-16H2,1-2H3,(H,23,25)
InChIKeyQAEFMVHYVMOFFP-UHFFFAOYSA-N
MW386.56 g/mol
LogP3.85
Rot. Bonds7

About 4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide

4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide (PubChem CID 56911223) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide
PubChem CID56911223
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide
SMILESCC(C)(O)CCc1ccc(C(=O)NC2CCCN(Cc3cccs3)C2)cc1
InChIInChI=1S/C22H30N2O2S/c1-22(2,26)12-11-17-7-9-18(10-8-17)21(25)23-19-5-3-13-24(15-19)16-20-6-4-14-27-20/h4,6-10,14,19,26H,3,5,11-13,15-16H2,1-2H3,(H,23,25)
InChIKeyQAEFMVHYVMOFFP-UHFFFAOYSA-N
XLogP3.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetyl-N-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]thiophene-3-carboxamide
CID 97438421
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 74247458
5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide
CID 131889341
4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 72909192
5-oxo-5-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pentanamide
CID 131905750
4-oxo-N-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazoline-2-carboxamide
CID 137225427
N-[(7S,8aS)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 70784243
2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]benzoic acid
CID 131904569
4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide
CID 131920401
4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide
CID 131929491
4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide
CID 166194791
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide?
The IUPAC name of 4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide (CID 56911223) is 4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide?
The canonical SMILES for 4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide is CC(C)(O)CCc1ccc(C(=O)NC2CCCN(Cc3cccs3)C2)cc1.
What is the InChIKey of 4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide?
The InChIKey is QAEFMVHYVMOFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-22(2,26)12-11-17-7-9-18(10-8-17)21(25)23-19-5-3-13-24(15-19)16-20-6-4-14-27-20/h4,6-10,14,19,26H,3,5,11-13,15-16H2,1-2H3,(H,23,25).
What are the key properties of 4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide?
4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide has a molecular weight of 386.56 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 56911223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).