(6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one

C20H21ClN2O2S — CID 163980885

IUPAC(6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
SMILESCC1c2cscc2C(=O)N[C@H]1C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21ClN2O2S/c1-12-16-10-26-11-17(16)19(24)22-18(12)20(25)23-8-6-14(7-9-23)13-2-4-15(21)5-3-13/h2-5,10-12,14,18H,6-9H2,1H3,(H,22,24)/t12?,18-/m1/s1
InChIKeySYGXBQZGRGBCQE-VMHBGOFLSA-N
MW388.92 g/mol
LogP4.02
Rot. Bonds2

About (6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one

(6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one (PubChem CID 163980885) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is (6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name(6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
PubChem CID163980885
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name(6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
SMILESCC1c2cscc2C(=O)N[C@H]1C(=O)N1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H21ClN2O2S/c1-12-16-10-26-11-17(16)19(24)22-18(12)20(25)23-8-6-14(7-9-23)13-2-4-15(21)5-3-13/h2-5,10-12,14,18H,6-9H2,1H3,(H,22,24)/t12?,18-/m1/s1
InChIKeySYGXBQZGRGBCQE-VMHBGOFLSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one with MolForge

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Related Compounds

[4-(4-chlorophenyl)piperidin-1-yl]-(4-methyl-4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
CID 166254381
(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 15290353
2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062
[3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 75497061
2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-2-cyclopropylethanone
CID 76725285
2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 83541941
2,3-dihydro-1,4-benzoxathiin-2-yl-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 71881156
(2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 67299766
1-[4-[3-(4-chlorophenyl)azepane-1-carbonyl]piperidin-1-yl]ethanone
CID 121146440
[(6S,7R)-6-(4-chlorophenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-(4-methylpiperidin-1-yl)methanone
CID 2428466
3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
CID 155372922
3-(4-chlorophenyl)azetidine-1-carboxamide
CID 20744165

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one?
The IUPAC name of (6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one (CID 163980885) is (6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one.
What is the SMILES notation for (6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one?
The canonical SMILES for (6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one is CC1c2cscc2C(=O)N[C@H]1C(=O)N1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of (6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one?
The InChIKey is SYGXBQZGRGBCQE-VMHBGOFLSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-12-16-10-26-11-17(16)19(24)22-18(12)20(25)23-8-6-14(7-9-23)13-2-4-15(21)5-3-13/h2-5,10-12,14,18H,6-9H2,1H3,(H,22,24)/t12?,18-/m1/s1.
What are the key properties of (6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one?
(6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one has a molecular weight of 388.92 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[4-(4-chlorophenyl)piperidine-1-carbonyl]-7-methyl-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one is sourced from PubChem (CID 163980885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).