6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one

C20H20N4O2S — CID 72919174

IUPAC6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one
SMILESO=C1NCCc2c1sc1ccc(C(=O)N3CCC(c4ncc[nH]4)CC3)cc21
InChIInChI=1S/C20H20N4O2S/c25-19-17-14(3-6-23-19)15-11-13(1-2-16(15)27-17)20(26)24-9-4-12(5-10-24)18-21-7-8-22-18/h1-2,7-8,11-12H,3-6,9-10H2,(H,21,22)(H,23,25)
InChIKeyWIVYRGLYAJPGKR-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.93
Rot. Bonds2

About 6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one

6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one (PubChem CID 72919174) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one.

Molecular Properties

Compound Name6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one
PubChem CID72919174
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one
SMILESO=C1NCCc2c1sc1ccc(C(=O)N3CCC(c4ncc[nH]4)CC3)cc21
InChIInChI=1S/C20H20N4O2S/c25-19-17-14(3-6-23-19)15-11-13(1-2-16(15)27-17)20(26)24-9-4-12(5-10-24)18-21-7-8-22-18/h1-2,7-8,11-12H,3-6,9-10H2,(H,21,22)(H,23,25)
InChIKeyWIVYRGLYAJPGKR-UHFFFAOYSA-N
XLogP2.93
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one
CID 131915811
(3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110725789
6-[(3S)-3-ethylmorpholine-4-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one
CID 70769462
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
CID 74242488
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(3-pyrrolidin-3-ylphenyl)methanone
CID 70720892
[4-(1H-imidazol-2-yl)piperidin-1-yl]-[3-[(3R)-pyrrolidin-3-yl]phenyl]methanone
CID 95861977
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70749250
(2-amino-1,3-thiazol-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110483362
[4-(1H-imidazol-2-yl)piperidin-1-yl]-[4-(piperidin-3-ylmethyl)phenyl]methanone;dihydrochloride
CID 154893197
(3,5-dichloro-2-pyridinyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 155955172
5-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-2,3-dimethylbenzenesulfonamide
CID 70741466
6-[3-(1H-imidazol-2-yl)azetidine-1-carbonyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 166281130

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one?
The IUPAC name of 6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one (CID 72919174) is 6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one.
What is the SMILES notation for 6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one?
The canonical SMILES for 6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one is O=C1NCCc2c1sc1ccc(C(=O)N3CCC(c4ncc[nH]4)CC3)cc21.
What is the InChIKey of 6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one?
The InChIKey is WIVYRGLYAJPGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c25-19-17-14(3-6-23-19)15-11-13(1-2-16(15)27-17)20(26)24-9-4-12(5-10-24)18-21-7-8-22-18/h1-2,7-8,11-12H,3-6,9-10H2,(H,21,22)(H,23,25).
What are the key properties of 6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one?
6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one has a molecular weight of 380.47 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]-3,4-dihydro-2H-[1]benzothiolo[2,3-c]pyridin-1-one is sourced from PubChem (CID 72919174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).