3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone

C20H23NO3S — CID 126438461

IUPAC3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)CCCO2)N1CCC([C@@H](O)c2cccs2)CC1
InChIInChI=1S/C20H23NO3S/c22-19(18-4-2-12-25-18)14-7-9-21(10-8-14)20(23)16-5-6-17-15(13-16)3-1-11-24-17/h2,4-6,12-14,19,22H,1,3,7-11H2/t19-/m1/s1
InChIKeyLGWYAZVLLGLKSL-LJQANCHMSA-N
MW357.48 g/mol
LogP3.66
Rot. Bonds3

About 3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone

3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 126438461) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID126438461
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)CCCO2)N1CCC([C@@H](O)c2cccs2)CC1
InChIInChI=1S/C20H23NO3S/c22-19(18-4-2-12-25-18)14-7-9-21(10-8-14)20(23)16-5-6-17-15(13-16)3-1-11-24-17/h2,4-6,12-14,19,22H,1,3,7-11H2/t19-/m1/s1
InChIKeyLGWYAZVLLGLKSL-LJQANCHMSA-N
XLogP3.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-chromen-6-yl-(4-hydroxypiperidin-1-yl)methanone
CID 82485167
3,4-dihydro-2H-chromen-6-yl(piperidin-1-yl)methanone
CID 110693318
1-(3,4-dihydro-2H-chromene-6-carbonyl)piperidine-4-carboxamide
CID 110693355
[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 72850348
N-cyclopentyl-4-(3,4-dihydro-2H-chromene-6-carbonyl)piperazine-1-carboxamide
CID 110812686
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-1-yl)methanone
CID 60739558
3,4-dihydro-2H-chromen-6-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 119073914
3,4-dihydro-2H-chromen-6-yl-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
CID 110802138
2,3-dihydro-1-benzofuran-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 86985261
[3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
CID 119063986
5-[4-(3,4-dihydro-2H-chromene-6-carbonyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110816231
[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 55218662

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone (CID 126438461) is 3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone is O=C(c1ccc2c(c1)CCCO2)N1CCC([C@@H](O)c2cccs2)CC1.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is LGWYAZVLLGLKSL-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23NO3S/c22-19(18-4-2-12-25-18)14-7-9-21(10-8-14)20(23)16-5-6-17-15(13-16)3-1-11-24-17/h2,4-6,12-14,19,22H,1,3,7-11H2/t19-/m1/s1.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone?
3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 357.48 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 126438461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).