[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

C20H26N4O3S — CID 39979332

IUPAC[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESCc1cc(CN2CCN(C(=O)C3CCN(C(=O)c4cccs4)CC3)CC2)on1
InChIInChI=1S/C20H26N4O3S/c1-15-13-17(27-21-15)14-22-8-10-24(11-9-22)19(25)16-4-6-23(7-5-16)20(26)18-3-2-12-28-18/h2-3,12-13,16H,4-11,14H2,1H3
InChIKeyOOLFUPSYBAPGLJ-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.24
Rot. Bonds4

About [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 39979332) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
PubChem CID39979332
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESCc1cc(CN2CCN(C(=O)C3CCN(C(=O)c4cccs4)CC3)CC2)on1
InChIInChI=1S/C20H26N4O3S/c1-15-13-17(27-21-15)14-22-8-10-24(11-9-22)19(25)16-4-6-23(7-5-16)20(26)18-3-2-12-28-18/h2-3,12-13,16H,4-11,14H2,1H3
InChIKeyOOLFUPSYBAPGLJ-UHFFFAOYSA-N
XLogP2.24
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

N-[1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46471453
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 78894079
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 134063621
[4-(3-methylphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25398339
(3-aminocyclohexyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 119399287
[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 99807109
2,3-dihydro-1-benzothiophen-2-yl-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 51316290
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 51269605
2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86906764
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27261466
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95140275
(3-aminophenyl)-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methanone
CID 119399318

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (CID 39979332) is [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is Cc1cc(CN2CCN(C(=O)C3CCN(C(=O)c4cccs4)CC3)CC2)on1.
What is the InChIKey of [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is OOLFUPSYBAPGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-15-13-17(27-21-15)14-22-8-10-24(11-9-22)19(25)16-4-6-23(7-5-16)20(26)18-3-2-12-28-18/h2-3,12-13,16H,4-11,14H2,1H3.
What are the key properties of [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 402.52 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 39979332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).